data_1mm5_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 1mm5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.753 0.311 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -69.83 -31.07 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.2 ttt -72.37 -55.06 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -58.19 -30.79 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.27 -46.23 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -44.88 37.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -30.22 67.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.029 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.93 -36.11 67.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.037 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -78.94 -36.68 41.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.4 mt -78.08 -36.0 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.261 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.12 64.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.272 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.91 -28.05 61.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.092 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.0 p -81.07 -25.12 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.27 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -95.76 -28.45 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.242 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.086 -179.783 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.817 0.342 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -110.65 147.49 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -77.08 107.67 9.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.11 154.7 17.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 pp -149.84 133.35 16.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CD1' ' HA3' ' A' ' 55' ' ' GLY . 24.8 p90 -127.5 159.83 33.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pp -154.33 158.72 32.38 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HA ' ' CD1' ' A' ' 157' ' ' TRP . 61.3 Cg_exo -51.76 148.01 23.11 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.555 2.17 . . . . 0.0 112.367 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.31 -65.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.3 pt -153.75 132.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 t -133.79 155.78 49.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.7 m0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -118.81 132.94 9.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.422 ' HA3' ' CD1' ' A' ' 27' ' ' TYR . . . -101.36 140.81 15.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.53 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -152.02 174.17 13.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.716 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.88 179.59 29.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.643 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.36 170.73 15.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -141.15 159.75 41.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -140.36 164.71 29.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -127.94 147.72 50.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -119.21 141.43 48.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.03 -20.73 26.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.382 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -92.08 34.99 0.99 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.744 0.307 . . . . 0.0 111.175 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.47 46.97 91.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.627 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -117.32 148.47 41.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -126.48 101.1 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.05 134.85 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -122.01 112.93 2.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.716 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -124.93 130.98 53.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.657 0.265 . . . . 0.0 110.655 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 23.2 m-85 -114.84 152.37 32.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.969 0.414 . . . . 0.0 110.971 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.38 109.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.622 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -154.08 175.63 13.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.94 130.84 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.999 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -111.46 144.31 40.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -106.89 133.52 51.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -91.32 170.02 10.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.5 p -66.92 -30.68 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.409 ' CH2' ' HG3' ' A' ' 81' ' ' LYS . 54.3 p-90 -100.52 31.37 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.09 109.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HG3' ' CH2' ' A' ' 79' ' ' TRP . 0.0 OUTLIER -175.81 118.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -94.32 122.92 37.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.591 ' HE2' HG21 ' A' ' 113' ' ' THR . 4.6 mm-40 -107.68 98.74 25.85 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.51 134.22 13.68 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.555 2.17 . . . . 0.0 112.339 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.5 mm -124.76 138.78 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.15 121.1 16.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -103.9 151.75 17.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.463 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -157.25 114.75 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.23 -161.98 22.78 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.56 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -128.63 144.9 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.736 0.303 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -137.46 148.1 45.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -110.27 105.31 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 t -104.37 127.68 52.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -94.8 142.45 27.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 -108.25 146.56 33.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.12 -167.75 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.536 2.158 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mp -93.12 -73.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.32 -52.07 25.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -66.75 -177.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.06 -45.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -59.24 -44.32 92.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -62.71 117.58 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -125.86 143.96 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 tt -144.33 127.09 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -179.32 -174.47 45.43 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.3 mp -144.76 170.9 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.24 -167.04 31.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -134.2 126.04 29.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.2 m -127.88 140.4 52.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.7 113.99 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -92.71 141.29 15.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.5 m -115.86 117.8 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.591 HG21 ' HE2' ' A' ' 83' ' ' GLU . 2.3 m -99.08 111.83 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.265 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.658 0.266 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.98 121.59 7.73 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.563 2.176 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mt -128.0 140.78 39.19 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.55 160.82 25.28 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.63 2.22 . . . . 0.0 112.394 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.8 m -150.09 142.65 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mt -94.26 127.85 40.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 tp -149.95 117.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 143' ' ' TYR . 72.9 Cg_endo -76.13 135.14 16.73 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.435 2.09 . . . . 0.0 112.371 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.3 mp -131.24 177.75 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -146.74 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.1 m -126.9 117.64 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.6 p -145.08 117.6 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.24 -169.68 38.01 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -165.41 120.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.764 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.7 -130.21 22.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.38 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -79.71 2.16 8.62 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.596 2.197 . . . . 0.0 112.877 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.4 t -110.82 98.94 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.853 0.359 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 88.8 m -111.39 126.76 55.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.3 123.45 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.95 116.78 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 7.2 mtt -110.33 149.22 30.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 65.5 m -157.0 121.11 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 128' ' ' PRO . 9.1 p90 -112.76 156.36 22.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 pt -129.25 91.99 40.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--N 1.345 0.355 0 C-N-CA 122.626 2.217 . . . . 0.0 112.345 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.0 157.09 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -127.46 142.76 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -121.06 147.3 45.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -139.39 126.13 20.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.416 ' CD1' ' HA ' ' A' ' 29' ' ' PRO . 22.6 m0 -137.6 159.49 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.4 mtt -85.85 150.33 24.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -143.85 133.31 23.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -128.7 143.38 50.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -100.27 110.95 23.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -131.82 172.74 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 37.7 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.802 0.334 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -73.11 -29.89 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 ttm -77.85 -28.98 50.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -57.24 -44.01 83.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 t -59.78 -29.99 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -42.0 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -63.36 -37.03 85.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -35.17 75.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -62.55 -42.63 99.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.46 -42.0 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.95 86.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -69.34 -38.07 77.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 p -71.47 -36.5 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -65.92 -35.17 79.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.817 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.871 0.367 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -127.83 161.62 28.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -120.91 98.48 6.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -93.02 120.82 33.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.45 ' CD1' ' CE2' ' A' ' 56' ' ' PHE . 3.5 mm? -102.32 135.16 44.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.424 ' CD1' ' HG2' ' A' ' 159' ' ' ARG . 10.0 m-85 -125.8 138.95 53.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pp -155.3 154.44 28.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.68 135.02 31.94 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.593 2.196 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.68 -75.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 tt -147.57 142.37 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.3 t -139.06 174.28 10.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.24 129.14 9.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -102.21 144.55 16.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.45 ' CE2' ' CD1' ' A' ' 26' ' ' LEU . 69.7 m-85 -152.06 173.96 14.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.735 0.303 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.17 159.64 29.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.549 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.7 tt -115.05 138.46 50.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.309 . . . . 0.0 110.768 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.0 t -90.35 153.53 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.033 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.76 159.85 30.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -137.53 144.15 41.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.06 141.41 41.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -23.56 9.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.421 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -93.1 35.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.676 0.275 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.81 50.91 58.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.557 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.08 161.08 23.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.11 121.03 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -121.39 162.87 19.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.05 158.87 25.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.549 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' CD2' ' CZ ' ' A' ' 88' ' ' TYR . 7.4 mp -108.9 166.04 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 110.69 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -116.96 118.75 33.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.779 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.49 109.84 18.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.052 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.36 152.66 41.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.81 130.01 14.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -111.5 121.83 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 118.96 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.8 -174.95 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.8 p -81.02 -35.04 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -178.16 38.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -109.3 -77.58 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -178.74 151.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 82' ' ' TRP . 1.3 m95 -77.42 151.06 34.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.96 98.81 51.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -83.08 155.65 14.88 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.616 2.21 . . . . 0.0 112.424 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -147.12 132.58 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.11 117.9 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.18 -172.76 12.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.824 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.452 ' CZ ' ' CD2' ' A' ' 70' ' ' LEU . 47.4 m-85 -143.94 114.3 7.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.706 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -110.85 146.25 17.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.65 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -115.08 111.9 21.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.74 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -124.77 163.37 22.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t -142.02 107.86 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.7 t -84.68 145.77 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -144.49 129.86 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -85.2 126.56 67.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.68 -168.26 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.413 2.075 . . . . 0.0 112.275 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.1 tp -98.54 -31.03 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.19 -51.36 25.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.55 155.81 20.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -108.15 -58.01 2.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -64.15 -37.92 89.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -72.66 114.01 10.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -113.87 136.12 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tt -118.66 119.8 35.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -131.77 178.94 17.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mt -149.27 156.57 42.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.54 -164.14 33.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 108' ' ' PHE . 3.8 m-85 -136.21 170.95 15.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.76 0.314 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.6 p -142.76 129.71 20.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.43 114.77 13.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -136.38 -173.02 12.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.47 136.63 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.337 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.4 p -111.84 128.68 56.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.662 0.268 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.24 162.99 1.77 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.47 2.113 . . . . 0.0 112.378 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.37 104.84 53.1 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.792 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.28 155.66 68.52 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.419 2.079 . . . . 0.0 112.37 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.3 p -145.0 135.02 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.88 120.38 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.9 mp -149.95 146.86 21.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.417 ' HB3' ' CD2' ' A' ' 108' ' ' PHE . 65.7 Cg_endo -73.76 153.01 48.15 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.53 2.153 . . . . 0.0 112.409 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.1 150.3 4.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -107.0 179.96 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -150.73 136.39 18.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.22 115.88 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -98.82 153.16 19.8 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.614 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -155.98 111.95 3.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.45 -133.26 51.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.111 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -88.07 23.56 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.715 2.276 . . . . 0.0 112.842 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.1 m -142.12 143.82 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.904 0.383 . . . . 0.0 111.184 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 91.5 m -124.99 132.81 53.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.85 144.0 37.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.52 144.16 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.3 mmt -133.29 130.39 38.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.7 t -120.22 152.05 38.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -130.9 137.03 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.03 91.95 37.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 C--N 1.345 0.345 0 C-N-CA 122.507 2.138 . . . . 0.0 112.282 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.4 t30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 32.6 t -114.14 151.51 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -126.73 144.52 50.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -117.8 133.05 56.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -94.32 123.33 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.96 134.54 54.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.9 136.52 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.424 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 50.4 mtp180 -122.62 139.31 54.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -119.46 145.39 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.82 114.29 27.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.56 148.63 39.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.845 0.355 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -34.33 77.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 mmt -79.01 -33.25 45.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.7 p -66.48 -36.9 83.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -60.12 -33.58 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.73 -32.07 72.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -31.83 69.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -74.49 -40.01 62.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.46 -54.24 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pp -59.64 -37.17 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.32 86.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -64.78 -53.39 47.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -64.12 -31.22 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -164.1 160.88 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 1.3 m-85 -100.72 126.4 47.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.528 ' HD2' ' CA ' ' A' ' 57' ' ' GLY . 2.4 p30 -92.3 137.73 32.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.12 127.63 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 43.2 m-85 -118.65 127.48 53.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.45 HG21 HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -139.87 151.75 66.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.31 116.05 2.58 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.62 2.214 . . . . 0.0 112.332 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.76 -58.89 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 tt -165.29 134.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.25 172.7 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.92 175.64 13.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.11 -148.31 13.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.552 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -138.34 174.05 10.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 110.831 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.528 ' CA ' ' HD2' ' A' ' 25' ' ' ASP . . . -164.54 -175.71 35.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.563 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.443 ' CD2' ' CE1' ' A' ' 24' ' ' TYR . 3.5 mm? -116.84 147.27 42.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 p -148.17 133.57 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.0 mtm-85 -129.87 121.12 26.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.78 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -100.02 140.23 34.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.06 146.69 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.62 -19.11 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.491 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -90.56 35.21 0.88 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.645 0.26 . . . . 0.0 111.291 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.76 51.38 57.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.647 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.03 139.79 53.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -137.98 90.02 2.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.408 ' CD2' ' NE1' ' A' ' 90' ' ' TRP . 21.9 t-160 -113.71 131.69 56.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.57 154.33 21.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.73 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HG ' ' CD2' ' A' ' 88' ' ' TYR . 5.2 mp -90.02 166.04 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.84 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 45.4 m-85 -133.47 118.86 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.77 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.71 110.3 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -133.54 161.62 34.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.33 130.13 24.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.66 158.19 18.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -99.41 135.55 40.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.72 176.54 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.1 t -63.77 -31.9 73.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -88.68 -78.43 0.34 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -178.65 61.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -134.82 154.4 51.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -102.09 155.0 18.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -136.95 102.0 9.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.11 152.76 79.38 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.343 2.029 . . . . 0.0 112.144 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.4 mt -144.94 142.51 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.315 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -137.96 117.89 13.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.568 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.51 143.66 14.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.949 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.419 ' CD2' ' HG ' ' A' ' 70' ' ' LEU . 76.5 m-85 -93.87 131.08 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.745 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -113.62 134.13 11.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.408 ' NE1' ' CD2' ' A' ' 68' ' ' HIS . 12.9 m95 -122.21 111.85 17.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.829 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -135.31 158.87 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.2 m -109.46 124.89 51.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.0 p -81.5 131.93 35.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -132.94 120.65 21.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.78 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.37 137.04 21.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.95 -171.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.496 2.13 . . . . 0.0 112.299 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mp -82.8 -31.39 28.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.03 -27.08 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 t0 64.14 81.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -132.17 -176.95 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -57.52 -30.78 65.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.79 98.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -104.75 150.24 24.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 mp -146.02 119.96 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -134.37 175.26 20.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.428 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 tt -160.59 152.21 19.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.68 -148.01 9.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.416 ' CD2' ' HA ' ' A' ' 128' ' ' PRO . 24.5 m-85 -139.0 171.0 14.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.341 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.9 t -138.84 114.54 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.42 116.72 23.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -148.82 -175.88 21.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.527 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.0 m -120.12 152.55 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.4 m -118.8 146.74 44.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.689 0.28 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.3 158.16 48.93 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.454 2.103 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 tt -113.85 89.03 15.21 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.802 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.13 135.91 38.92 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.463 2.109 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.8 m -150.01 124.76 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.0 tt -112.89 126.6 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.5 mp -146.19 152.76 47.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.416 ' HA ' ' CD2' ' A' ' 108' ' ' PHE . 51.0 Cg_endo -69.24 148.47 68.54 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.554 2.169 . . . . 0.0 112.294 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.94 130.0 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -100.18 167.12 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.8 t -142.74 136.02 28.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.4 m -145.01 115.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.03 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.07 144.31 17.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.551 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -153.72 111.89 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.2 -134.18 52.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.094 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -88.62 27.79 0.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.717 2.278 . . . . 0.0 112.866 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 5.9 m -142.08 148.36 20.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.936 0.398 . . . . 0.0 111.341 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.09 118.2 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.765 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -95.47 144.1 26.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -143.04 119.2 10.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.9 mtp -98.88 145.4 27.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 25.5 m -131.03 122.73 27.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -101.82 136.37 41.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.6 mt -127.45 91.97 44.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--N 1.345 0.392 0 C-N-CA 122.521 2.147 . . . . 0.0 112.346 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 6.8 t30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.55 126.83 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -107.23 133.61 51.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -128.74 138.01 51.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -106.13 140.69 38.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -133.26 122.49 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -87.27 154.67 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.402 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 27.5 ttt-85 -135.21 144.63 47.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -139.88 143.08 36.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.06 111.32 22.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -123.63 164.99 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.817 0.342 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.63 -30.83 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.8 mmt -74.63 -31.1 61.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.6 p -73.65 -51.62 16.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 t -59.68 -31.25 69.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -34.05 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -31.25 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -73.06 -31.16 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -72.53 -54.9 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 pt -59.79 -30.73 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.47 -41.95 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -63.19 -48.43 78.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -61.9 -30.97 71.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -80.52 -30.26 37.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.998 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.737 0.303 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.41 144.99 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -71.01 125.74 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.785 ' HD2' ' HG ' ' A' ' 59' ' ' SER . 80.6 m-20 -100.93 114.05 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tp -99.98 138.49 36.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -137.12 124.87 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 tp -156.0 133.28 6.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.76 146.04 47.49 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.453 2.102 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.73 -49.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.59 137.72 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.4 m -154.61 110.44 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.29 176.7 41.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.04 -149.74 13.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -136.06 173.99 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.39 -158.93 12.13 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.495 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.5 mt -141.03 164.79 29.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.785 ' HG ' ' HD2' ' A' ' 25' ' ' ASP . 63.1 p -163.01 163.26 26.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -144.22 -175.94 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -127.76 128.25 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.39 146.54 28.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -53.01 -22.62 5.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.493 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -90.89 35.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.753 0.311 . . . . 0.0 111.223 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.08 49.53 58.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.682 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -122.04 161.0 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -132.2 109.49 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 90' ' ' TRP . 0.2 OUTLIER -126.89 136.88 52.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.82 149.33 14.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.634 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.425 HD22 ' CE1' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -81.92 164.77 21.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.738 0.304 . . . . 0.0 110.813 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 5.8 m-85 -138.46 118.87 13.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.797 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.7 114.58 27.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.6 mtp -127.72 169.34 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -147.1 131.66 17.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -108.08 137.96 45.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.81 125.82 35.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -87.43 174.88 8.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.2 p -65.88 -30.9 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -72.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 179.55 -38.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -56.54 126.34 26.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -102.08 155.0 18.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.758 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -114.18 121.22 36.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.43 153.21 60.98 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.429 2.086 . . . . 0.0 112.181 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mt -137.33 120.01 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.282 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -124.42 117.86 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.66 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.7 141.33 9.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.914 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.425 ' CE1' HD22 ' A' ' 70' ' ' LEU . 23.0 m-85 -91.94 125.42 36.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 110.682 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.04 133.09 11.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 68' ' ' HIS . 18.8 m-90 -113.85 115.61 28.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.749 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -138.16 155.34 48.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.98 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 m -117.24 108.31 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.2 m -75.83 137.68 40.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -118.33 143.99 46.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.83 112.01 30.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -51.59 -178.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.436 2.09 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -29.74 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.49 -29.69 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.11 88.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -146.68 176.05 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -60.05 -36.7 77.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.86 127.22 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.55 156.02 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.54 128.39 18.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.24 175.78 21.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.51 145.58 51.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.46 175.91 46.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.562 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 128' ' ' PRO . 7.6 m-85 -119.87 169.76 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.356 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 73.5 m -134.54 108.95 8.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.67 122.97 48.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.33 -164.2 10.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.2 t -149.92 142.81 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.067 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.6 m -101.06 119.31 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.8 mt . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.666 0.269 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.74 159.85 6.35 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.533 2.155 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 tp -138.99 94.08 10.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.21 144.69 63.73 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.487 2.125 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.7 t -147.37 141.62 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.23 142.05 48.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 mp -147.98 117.03 4.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.42 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 64.6 Cg_endo -73.45 146.97 40.44 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.488 2.125 . . . . 0.0 112.343 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.4 pp -164.55 167.88 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -130.73 139.0 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 m -94.36 116.65 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.8 p -144.96 128.81 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.064 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.14 -155.21 11.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.547 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -144.77 112.02 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.974 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.59 -117.14 10.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.703 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.11 -17.57 27.98 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.483 2.122 . . . . 0.0 112.652 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.1 t -86.04 117.94 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 0.0 111.096 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.9 m -124.95 108.94 12.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -105.42 117.79 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.54 123.24 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 16.3 mtt -106.08 130.31 54.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.89 151.72 26.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -108.11 138.33 44.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.9 mt -120.96 91.96 48.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo . . . . . 0 C--N 1.346 0.424 0 C-N-CA 122.49 2.127 . . . . 0.0 112.363 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.3 t -120.18 131.99 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -108.64 144.83 35.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.99 137.41 53.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -118.21 143.65 46.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -140.47 123.36 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 8.5 mtm -90.91 130.67 36.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -126.09 133.98 51.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -134.54 146.99 50.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 134.14 45.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.62 125.14 45.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.856 0.36 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -66.39 -31.2 71.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.0 mtm -78.31 -33.14 49.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -64.26 -47.27 80.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -42.88 99.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.67 -31.44 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.73 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.95 -37.27 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.76 -42.69 97.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.64 -34.49 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.15 73.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -76.76 -45.89 27.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -30.5 70.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.75 -34.2 66.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.807 0.336 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.21 167.44 20.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -122.22 114.66 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -112.19 167.17 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.9 128.33 52.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -105.63 124.56 49.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.0 mp -141.63 136.09 15.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.76 116.41 3.94 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.425 2.084 . . . . 0.0 112.282 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.76 -76.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.0 pt -150.98 171.03 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 t -145.32 163.72 33.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.6 t90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.35 166.65 34.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.77 175.9 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -148.02 141.64 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.832 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.25 137.85 13.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.539 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.1 mp -151.41 150.97 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.697 0.284 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.0 m -167.98 173.31 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.54 165.9 35.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -101.75 128.6 48.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -94.68 136.97 34.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.91 -22.85 6.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.542 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.57 35.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.696 0.284 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 53.21 43.8 64.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.685 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -122.04 161.09 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 111.031 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -124.37 94.42 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.79 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -70.57 124.81 25.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.88 120.59 6.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 1.3 tp -117.99 151.68 36.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.643 0.259 . . . . 0.0 110.808 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -137.92 165.05 27.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.02 109.95 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 mtp -126.99 177.08 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.2 130.89 4.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -123.24 151.6 42.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -130.94 131.11 44.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.81 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.89 -168.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.5 m -82.56 -34.95 27.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -100.24 37.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.25 105.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -158.77 86.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -74.44 126.05 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -130.35 98.79 20.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.967 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.07 159.87 26.89 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.563 2.176 . . . . 0.0 112.324 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.0 tt -164.08 136.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.221 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.06 148.87 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.76 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -103.83 157.23 17.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.418 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 110' ' ' ALA . 31.1 p90 -157.19 110.01 2.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.47 -162.98 12.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.559 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 18.1 m-90 -123.69 145.64 48.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -146.84 150.39 35.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.7 p -115.98 99.93 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.3 p -94.98 125.72 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -125.0 143.71 50.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -131.87 138.98 33.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.76 158.48 43.08 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.432 2.088 . . . . 0.0 112.298 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mp -83.11 -31.24 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.96 -30.59 70.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.77 143.28 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -110.52 -30.61 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -31.55 67.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -82.44 133.87 35.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -137.43 138.74 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.4 mp -132.12 163.26 28.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.83 152.55 13.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mt -150.63 141.25 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.54 -176.21 44.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 128' ' ' PRO . 7.2 m-85 -114.93 157.23 23.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.8 p -139.35 142.57 37.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 88' ' ' TYR . . . -113.69 114.07 25.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.22 125.09 8.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.4 118.43 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.153 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.8 t -99.57 139.4 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.652 0.263 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.72 156.85 56.69 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.532 2.155 . . . . 0.0 112.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.8 mt -109.49 87.47 5.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.64 148.75 37.5 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.617 2.211 . . . . 0.0 112.394 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.03 115.91 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.96 132.13 43.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 43.0 mt -149.82 131.69 7.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.415 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 72.6 Cg_endo -76.65 126.1 8.68 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.53 2.153 . . . . 0.0 112.251 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 pp -142.13 155.62 45.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -109.27 166.64 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.3 p -129.93 131.73 46.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 16.4 m -141.23 116.06 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -108.37 158.19 14.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -155.36 112.0 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.724 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 61.61 -134.34 47.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.271 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -87.37 27.42 0.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.739 2.292 . . . . 0.0 112.746 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.03 149.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.176 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 26.5 m -124.93 145.05 50.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -127.91 141.75 51.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -132.72 144.0 49.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.0 tpp -140.76 137.48 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 14.2 m -124.08 119.19 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -127.37 162.08 27.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -135.91 91.99 16.97 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo . . . . . 0 C--N 1.345 0.363 0 C-N-CA 122.599 2.199 . . . . 0.0 112.298 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.909 0.385 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.0 m -151.68 137.72 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -129.14 127.46 41.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.42 ' HB3' ' CZ3' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -108.59 130.0 55.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.1 153.59 19.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.42 ' CZ3' ' HB3' ' A' ' 155' ' ' PHE . 0.0 OUTLIER -153.7 150.3 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -117.59 145.62 44.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -129.15 125.26 36.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.83 140.46 32.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.66 108.06 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -139.01 153.44 48.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -63.4 -34.31 77.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mmt -69.46 -31.77 70.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -64.89 -42.31 94.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.2 -38.35 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -42.08 70.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -59.48 -40.67 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -64.24 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -75.09 -57.03 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 pt -60.8 -29.8 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.85 -50.66 61.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -59.08 -32.3 69.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.8 m -71.22 -30.56 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -56.39 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -158.78 126.74 5.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -100.12 109.41 21.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -92.83 147.21 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.437 ' CD1' ' CE2' ' A' ' 56' ' ' PHE . 2.6 mp -102.16 158.42 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -138.27 132.16 31.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.9 tt -155.65 138.98 10.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.48 153.12 14.42 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.457 2.105 . . . . 0.0 112.284 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.32 -67.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 mp -140.26 138.98 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 m -133.7 154.28 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.36 -172.78 38.47 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.82 -170.27 43.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE2' ' CD1' ' A' ' 26' ' ' LEU . 6.1 m-85 -114.94 174.03 6.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.749 0.309 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.46 162.7 30.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -136.29 131.81 34.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -105.48 169.03 8.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.5 137.67 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -99.97 124.1 44.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -87.59 143.16 27.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.15 -23.09 12.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.395 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -93.31 35.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.62 51.9 53.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.656 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.36 158.77 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -136.58 96.04 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.418 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 2.8 p80 -134.02 152.03 51.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.37 174.93 46.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.57 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.17 162.07 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.668 0.271 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.426 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 16.9 p90 -146.01 118.92 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.822 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.58 114.68 27.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.279 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -102.66 175.23 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.646 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.61 130.5 13.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -116.39 116.1 27.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -82.96 131.88 35.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -115.4 134.58 54.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 79' ' ' TRP . 0.6 OUTLIER -59.28 -20.77 57.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.419 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 27.1 m-90 -128.27 -44.83 1.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.622 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.67 -161.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.649 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.57 179.71 4.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -60.16 124.2 19.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -104.54 99.07 16.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -74.4 148.19 37.87 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.555 2.17 . . . . 0.0 112.286 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.9 mt -149.23 124.76 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.52 117.85 31.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.426 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -119.49 135.83 11.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.367 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' A' ' 68' ' ' HIS . 8.9 t80 -110.03 113.69 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.988 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.47 143.34 15.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.568 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 90' ' ' TRP . 41.2 p90 -120.01 120.97 37.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -135.36 167.87 20.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.6 t -103.85 129.87 51.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.429 ' CG2' ' CE1' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -98.54 130.08 45.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.988 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -136.16 146.23 46.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -124.93 148.59 60.33 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.09 -168.02 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.59 2.194 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.85 -34.09 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.04 -51.99 11.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -100.79 162.64 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -123.39 -38.1 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -62.34 -46.08 90.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -59.36 120.31 9.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.429 ' CE1' ' CG2' ' A' ' 93' ' ' THR . 0.3 OUTLIER -130.4 131.01 45.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.68 138.71 52.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.74 161.53 28.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.539 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mp -142.79 151.2 40.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.51 -161.8 28.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.1 141.2 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.6 p -109.99 120.88 43.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.56 127.44 19.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -160.41 -147.98 5.1 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 m -135.33 148.23 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 111.24 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.7 m -113.05 137.45 51.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.1 mt . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.532 0.206 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.16 147.17 78.59 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.38 2.054 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.52 91.67 17.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.3 133.41 42.25 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.54 2.16 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.4 m -139.36 152.03 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.88 114.31 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 128' ' ' PRO . 0.3 OUTLIER -150.02 150.13 29.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 14.5 Cg_exo -68.77 139.14 43.0 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.66 2.24 . . . . 0.0 112.2 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 9.2 tt -150.15 140.83 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.22 137.53 42.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.9 p -109.32 120.72 43.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 12.2 p -144.98 131.75 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.36 -141.84 3.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -164.25 122.59 1.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.337 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.47 -130.38 23.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.373 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.54 2.78 8.08 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.495 2.13 . . . . 0.0 112.93 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.6 t -109.24 109.81 29.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.8 0.333 . . . . 0.0 111.205 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 29.1 p -125.03 108.95 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -84.93 125.94 33.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -121.24 113.92 20.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 39.5 mtm -117.28 151.44 36.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.5 t -129.49 141.59 50.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -116.08 108.41 16.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.3 tp -92.28 134.27 28.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--N 1.347 0.448 0 C-N-CA 122.451 2.1 . . . . 0.0 112.286 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 42.1 t30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.815 0.341 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.47 154.02 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -125.56 139.04 53.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -132.96 136.23 45.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -119.51 137.86 53.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -138.06 137.12 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.6 ttp -97.88 134.32 41.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -124.77 135.1 52.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.24 147.06 31.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -100.69 116.55 32.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.69 130.43 54.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.791 0.329 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -68.6 -35.67 77.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 ttt -70.57 -31.52 68.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -66.15 -41.28 90.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.8 t -74.17 -39.08 63.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.68 -44.3 82.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -50.17 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.69 -31.83 72.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -45.71 69.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.5 mt -72.42 -31.45 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -32.19 72.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.71 -42.93 32.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.5 p -59.84 -52.54 65.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -60.58 -33.49 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.815 0.34 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -98.15 118.35 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.2 115.31 25.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -116.64 154.86 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.44 146.46 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -138.98 118.98 13.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.8 pt -155.93 158.54 31.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HA ' ' CE3' ' A' ' 157' ' ' TRP . 54.2 Cg_exo -51.9 165.62 0.78 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.595 2.197 . . . . 0.0 112.356 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.69 -67.0 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tt -166.08 145.19 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.3 p -144.54 171.44 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 10.0 m95 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.48 -162.43 32.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.24 -149.5 9.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -108.89 160.85 15.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.13 177.42 16.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 mp -138.58 175.05 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.365 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.3 p -153.67 146.29 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -132.93 121.5 22.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -99.95 113.75 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.65 144.88 26.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -57.8 -18.95 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.464 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -89.87 35.08 0.84 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.623 0.249 . . . . 0.0 111.232 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.59 47.1 86.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.714 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -122.04 151.86 40.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -137.7 92.06 2.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.75 155.31 40.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.21 124.26 4.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.637 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 1.0 OUTLIER -111.31 146.89 36.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.574 0.226 . . . . 0.0 110.641 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 22.8 m-85 -126.91 118.8 25.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.24 110.01 15.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -142.81 178.03 7.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.238 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.61 129.96 23.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.982 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -118.05 152.84 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.27 142.28 36.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.2 175.32 5.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -75.48 -15.83 60.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -92.72 17.69 9.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.31 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 55.52 85.2 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.324 . . . . 0.0 111.036 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.3 170.4 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 17.7 m-90 -115.38 114.97 25.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.05 98.92 12.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.78 151.47 78.66 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.453 2.102 . . . . 0.0 112.338 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.467 HG21 HD11 ' A' ' 85' ' ' ILE . 22.8 mm -122.08 138.57 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.033 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -137.87 117.76 13.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -113.33 152.86 17.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.311 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -157.16 112.34 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.63 -173.12 19.82 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -105.01 140.1 38.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.766 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -144.38 133.95 23.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.23 140.79 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.7 m -99.58 138.64 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -146.01 121.59 10.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -132.19 141.79 42.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.08 -176.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.419 2.079 . . . . 0.0 112.333 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.02 -40.17 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.59 -31.93 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -133.76 162.19 32.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -124.89 23.63 7.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.14 -50.97 5.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -61.6 98.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -83.02 140.29 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.52 140.88 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.26 143.71 7.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.9 mp -140.77 150.29 43.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.81 -168.29 41.38 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 128' ' ' PRO . 6.1 m-85 -125.31 145.85 49.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.785 0.326 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 p -114.32 136.9 52.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.97 114.59 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -145.39 -149.4 5.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.8 m -148.06 162.52 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 t -127.61 160.75 30.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.635 0.255 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.82 163.03 40.56 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.498 2.132 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 mt -112.85 90.08 14.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -50.1 140.95 31.6 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.584 2.19 . . . . 0.0 112.436 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 31.6 m -149.83 121.07 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.04 123.29 40.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 mp -148.42 129.55 7.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.413 ' HB3' ' CD2' ' A' ' 108' ' ' PHE . 72.0 Cg_endo -74.66 150.21 39.57 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.506 2.138 . . . . 0.0 112.323 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.3 pp -165.55 173.65 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.02 166.3 27.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.9 t -127.49 123.43 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.0 m -145.05 127.17 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.98 -148.59 6.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -170.98 128.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.09 -131.79 28.02 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.523 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -83.3 9.32 4.15 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.705 2.27 . . . . 0.0 113.281 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 m -122.46 106.6 18.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.9 0.381 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.0 m -118.36 117.15 28.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.76 142.71 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -129.57 142.68 50.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.01 146.87 50.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 11.1 m -138.34 146.47 42.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -109.01 149.13 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.2 91.95 37.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--N 1.345 0.385 0 C-N-CA 122.526 2.151 . . . . 0.0 112.297 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.01 158.8 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.36 117.12 28.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -107.67 134.78 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -111.78 143.65 42.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 29' ' ' PRO . 42.7 m95 -137.61 144.17 41.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 12.9 mtp -89.0 136.59 32.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 17.0 ttp85 -128.76 143.71 50.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . 0.493 ' CD1' ' CE2' ' A' ' 162' ' ' PHE . 0.7 OUTLIER -122.36 146.55 47.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -114.29 126.07 54.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 160' ' ' PHE . 16.9 m-85 -135.32 115.04 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.848 0.356 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -31.68 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.9 ttt -72.92 -32.25 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 m -60.69 -49.86 75.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.5 p -70.54 -39.55 73.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -61.61 -40.58 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -62.58 -47.45 83.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.06 -32.16 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -72.75 -57.07 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pp -61.8 -32.11 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.199 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.25 -30.76 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -36.07 70.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p -78.6 -37.84 41.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -39.41 79.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.893 0.377 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.404 ' CG ' HD13 ' A' ' 163' ' ' LEU . 1.2 t-80 -149.71 117.98 6.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -90.55 115.6 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.23 148.21 47.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -111.95 124.72 53.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -101.28 118.74 37.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.5 mp -142.9 135.96 13.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.09 150.54 77.44 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.448 2.099 . . . . 0.0 112.296 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.06 -75.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.9 mm -112.23 140.49 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.7 p -154.48 133.35 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.6 m0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.09 -172.79 23.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.75 -152.9 8.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.586 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -130.92 173.96 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 111.008 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.63 169.56 24.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.84 155.67 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.344 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.69 160.0 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -141.62 159.3 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 24.9 p-90 -121.61 125.95 47.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.05 140.34 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.07 -18.19 45.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.358 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -91.86 35.13 0.97 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.665 0.269 . . . . 0.0 111.215 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.27 44.04 96.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.588 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -122.0 161.01 23.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -137.92 93.24 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.03 148.65 48.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.25 125.01 2.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 tp -111.12 151.2 28.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.677 0.275 . . . . 0.0 110.799 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.404 ' CD2' ' HA3' ' A' ' 87' ' ' GLY . 21.1 m-85 -121.39 155.61 34.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.32 109.99 4.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 mmm -133.89 144.36 48.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -138.38 136.88 36.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.67 124.06 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.43 120.9 39.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -167.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -87.16 -32.99 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.8 p-90 -162.75 31.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -108.66 -80.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 178.15 -173.59 0.14 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.809 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -89.6 134.09 34.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.55 98.85 15.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.21 160.07 29.72 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.626 2.217 . . . . 0.0 112.492 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.432 HD13 HG22 ' A' ' 85' ' ' ILE . 22.5 mt -149.25 133.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.15 119.96 15.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA3' ' CD2' ' A' ' 71' ' ' TYR . . . -103.74 155.96 17.7 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.674 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -157.24 109.99 2.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.747 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.15 178.78 23.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.619 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -122.41 122.12 38.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -129.44 167.87 17.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -123.31 116.13 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.5 m -90.74 127.59 36.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -125.83 129.83 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -105.7 126.0 31.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.429 ' CG ' ' CE2' ' A' ' 102' ' ' PHE . 50.9 Cg_exo -53.95 177.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.452 2.102 . . . . 0.0 112.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 mp -111.0 -39.55 4.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.75 74.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.4 122.33 12.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -96.38 41.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.07 -31.37 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.429 ' CE2' ' CG ' ' A' ' 96' ' ' PRO . 32.4 p90 -112.5 140.81 46.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.981 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -109.81 148.49 31.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mt -123.69 144.17 49.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.41 140.88 8.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.39 134.56 25.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.29 -174.36 42.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -103.11 157.42 17.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 110.798 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.0 p -135.06 117.1 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.81 114.0 21.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.787 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -130.47 -172.23 13.09 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.768 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.2 m -129.28 125.35 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.83 126.05 52.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.931 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.451 HG21 HD13 ' A' ' 121' ' ' ILE . 28.7 mm . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.571 0.224 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.08 163.0 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.472 2.115 . . . . 0.0 112.396 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 pp -126.06 120.81 23.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.43 162.45 12.27 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.444 2.096 . . . . 0.0 112.222 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.04 115.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.45 114.74 23.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -150.03 159.23 35.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -68.8 142.69 53.13 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.724 2.282 . . . . 0.0 112.175 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.4 tt -149.97 153.81 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -139.91 139.94 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 p -112.24 114.02 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 15.4 m -141.33 139.91 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -169.57 -153.34 8.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.695 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 102' ' ' PHE . 35.0 m-85 -142.54 111.89 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.93 -121.26 11.69 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.779 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -84.39 -0.51 9.45 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.743 2.296 . . . . 0.0 113.465 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.2 m -110.15 112.37 40.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.851 0.358 . . . . 0.0 111.245 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.5 t -118.56 137.3 53.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -114.16 135.98 53.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.1 134.22 47.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.14 129.95 48.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -117.03 141.94 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -123.74 115.84 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.51 93.74 4.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.045 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo . . . . . 0 C--N 1.345 0.384 0 C-N-CA 122.48 2.12 . . . . 0.0 112.368 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.771 0.32 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.5 m -132.32 159.68 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.64 146.83 47.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.812 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -137.22 121.33 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -110.52 150.51 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -145.01 171.37 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 36.0 mtm -123.43 134.05 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -133.93 122.47 23.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -93.01 125.61 37.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -94.25 123.16 37.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -138.75 117.07 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.404 HD13 ' CG ' ' A' ' 23' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m0 -75.08 -53.59 8.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -30.13 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.8 m -60.54 -55.91 27.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.785 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.3 p -60.71 -44.62 96.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.35 -41.2 96.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -70.75 -31.26 68.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.67 -30.47 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -78.4 -43.24 27.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.1 mt -71.42 -46.15 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.17 98.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -61.73 -46.51 89.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -70.69 -30.67 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.14 -39.69 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.997 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.901 0.381 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -109.04 123.36 49.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.405 ' CD2' HD13 ' A' ' 26' ' ' LEU . 23.2 t80 -118.49 107.15 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -114.87 132.62 56.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.405 HD13 ' CD2' ' A' ' 24' ' ' TYR . 5.3 mp -101.62 126.31 48.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.404 ' CD1' ' OH ' ' A' ' 71' ' ' TYR . 41.2 t80 -100.56 128.17 46.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.2 pt -156.07 156.42 30.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.21 166.89 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.531 2.154 . . . . 0.0 112.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.19 -73.8 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -144.3 151.1 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.8 m -155.99 127.92 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.07 -179.72 43.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.13 -143.99 7.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -140.93 174.06 10.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.3 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.95 135.41 4.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.608 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tp -107.54 137.18 46.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.787 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.44 139.18 52.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -110.52 159.68 17.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -99.97 124.24 45.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.037 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.36 136.92 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.709 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.75 -24.06 8.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.392 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.45 33.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.853 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.91 48.37 73.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.99 161.23 23.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.358 . . . . 0.0 111.2 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.51 92.75 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -120.69 140.01 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.27 -170.81 35.81 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.394 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.37 165.23 12.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -135.9 118.84 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.664 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.87 129.07 49.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.237 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.63 122.26 9.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.23 130.02 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -108.06 111.03 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.744 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -98.65 141.1 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.88 162.56 13.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -62.13 -19.41 62.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -144.92 -43.79 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -170.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -96.62 -174.44 3.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 14.5 p-90 -108.39 142.33 38.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.46 109.65 48.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.1 160.05 40.3 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.483 2.122 . . . . 0.0 112.236 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.5 mt -145.57 135.18 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.249 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.08 117.83 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.672 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.16 169.08 26.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.884 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -95.9 118.04 31.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.29 113.43 4.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.638 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -104.3 111.96 24.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.789 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -119.09 130.76 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.022 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -108.2 104.78 14.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.06 137.47 45.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.02 137.55 24.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.83 133.64 25.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -57.04 -162.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.509 2.139 . . . . 0.0 112.164 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.3 tp -85.52 -30.24 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.83 -29.82 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.193 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.7 t0 62.67 119.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -170.97 -176.88 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.412 ' HB2' ' CE1' ' A' ' 134' ' ' TYR . 2.1 m-80 -71.11 -23.99 62.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -53.69 107.7 0.28 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -98.06 120.26 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.78 133.5 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.81 -156.8 11.84 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.575 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 tt -108.51 155.15 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.65 130.74 3.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -128.11 128.15 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 48.6 p -105.9 108.97 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.6 123.34 24.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.7 -160.4 23.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.3 m -114.5 150.68 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 111.203 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.3 p -124.03 141.53 51.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.685 0.279 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.9 162.97 39.68 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.619 2.213 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.47 89.44 49.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.2 140.92 32.44 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.609 2.206 . . . . 0.0 112.405 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 30.7 m -137.62 147.87 26.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mp -146.29 115.5 7.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.7 mt -135.82 117.0 11.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 73.4 Cg_endo -75.11 148.55 35.02 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.459 2.106 . . . . 0.0 112.342 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.37 172.62 16.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.03 141.67 51.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m -94.63 122.33 37.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.419 ' HB ' ' CE2' ' A' ' 139' ' ' PHE . 21.6 t -144.91 132.89 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -178.64 -160.96 25.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.43 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 101' ' ' ASN . 63.1 t80 -161.66 111.87 1.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.69 -112.29 4.52 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.73 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -85.13 -19.38 3.83 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.774 2.316 . . . . 0.0 113.387 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 134' ' ' TYR . 14.8 p -90.32 114.79 28.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 111.348 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.14 118.36 25.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.419 ' CE2' ' HB ' ' A' ' 132' ' ' VAL . 55.1 p90 -128.15 133.07 48.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -126.44 143.28 51.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 5.3 mtt -112.66 135.4 53.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.3 t -120.59 139.46 52.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 128' ' ' PRO . 19.7 p90 -115.22 137.07 52.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.403 ' CG2' ' O ' ' A' ' 144' ' ' ILE . 2.3 tt -103.05 93.89 4.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--N 1.345 0.374 0 C-N-CA 122.551 2.167 . . . . 0.0 112.352 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.4 m120 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.1 t -129.68 146.16 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -115.9 146.53 41.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -131.98 124.72 29.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.06 156.35 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -147.5 134.44 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.6 mtt -99.15 140.5 33.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -136.33 128.5 29.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.55 123.43 48.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -90.16 129.31 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.97 134.35 33.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -44.89 90.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.5 ttt -61.51 -32.25 72.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -60.84 -44.08 97.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.7 m -73.31 -32.9 64.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -76.04 -31.51 58.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -63.54 -48.03 79.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.81 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -66.25 -54.7 21.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 tp -60.19 -40.85 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.51 -32.93 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -71.13 -53.68 13.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -55.62 -27.8 51.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -30.6 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.29 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -140.08 168.03 20.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.402 ' OH ' ' CG ' ' A' ' 56' ' ' PHE . 12.1 t80 -81.75 109.53 16.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.47 134.59 34.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -119.68 112.07 18.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -99.22 124.78 44.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.3 tp -155.97 134.01 7.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.7 -179.04 3.02 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.428 2.085 . . . . 0.0 112.263 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.81 -62.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.99 133.99 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.218 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.7 t -156.05 154.28 30.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.402 ' HA3' ' CE1' ' A' ' 75' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.88 176.04 35.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.425 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.73 -165.84 26.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.594 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.402 ' CG ' ' OH ' ' A' ' 24' ' ' TYR . 34.9 p90 -147.28 174.08 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.08 -167.86 34.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.39 155.46 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -123.55 148.64 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.95 142.62 36.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -107.77 167.95 9.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.045 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.62 139.63 51.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.745 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -52.82 -31.21 37.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -68.99 -18.65 64.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.95 46.92 0.92 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.04 161.04 23.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 111.11 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -137.97 105.38 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -131.61 140.1 49.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.998 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.33 -174.43 22.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.58 158.5 43.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.628 0.251 . . . . 0.0 110.788 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 46.0 p90 -157.09 118.75 3.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.31 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.74 117.57 30.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.5 mtm -111.91 134.4 53.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.69 139.61 49.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.402 ' CE1' ' HA3' ' A' ' 53' ' ' GLY . 1.2 m-85 -125.58 127.33 46.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -108.67 121.66 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -118.09 -170.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 m -60.16 -29.48 68.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -19.39 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 64.87 60.72 0.82 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.019 0.437 . . . . 0.0 110.766 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -162.08 103.01 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.731 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 30.6 p90 -57.57 128.34 36.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -103.37 98.93 13.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.25 145.49 24.25 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.52 2.147 . . . . 0.0 112.503 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 pp -152.74 119.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.09 117.85 34.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -105.21 135.78 12.77 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.141 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -104.33 109.93 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 111.05 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -96.47 108.93 3.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.384 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -113.84 112.3 23.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.815 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -147.45 166.4 27.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.53 143.36 27.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.1 p -99.06 142.72 30.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -146.1 132.96 20.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -110.38 124.86 32.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.31 -171.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.383 2.055 . . . . 0.0 112.28 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.1 mt -99.5 -54.35 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.36 -41.72 55.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.85 162.56 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.22 -50.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -69.38 -31.61 70.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.01 99.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -91.83 135.06 34.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.9 tp -133.31 148.07 51.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.49 163.59 37.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.8 mt -147.48 127.9 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -166.91 -157.79 10.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -131.86 151.4 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.5 p -121.67 116.54 24.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -138.4 127.35 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -136.32 -153.9 6.68 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.626 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.87 147.46 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.855 0.359 . . . . 0.0 111.211 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.2 m -102.7 160.17 14.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.157 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.497 0.189 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.09 145.58 67.62 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.414 2.076 . . . . 0.0 112.263 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 tp -102.11 94.45 4.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.56 143.24 56.26 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.436 2.091 . . . . 0.0 112.282 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 31.1 m -136.04 141.62 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.4 tt -115.23 114.25 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.1 mp -139.03 124.37 11.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 143' ' ' TYR . 15.2 Cg_exo -68.71 148.36 71.53 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.448 2.099 . . . . 0.0 112.061 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.8 tt -154.31 152.67 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -117.89 157.39 26.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.8 p -116.29 114.88 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.3 p -145.02 115.97 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.984 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.21 -170.96 12.43 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.649 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -168.42 128.39 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.728 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 65.71 -135.72 35.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.279 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -87.35 23.95 0.77 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.782 2.322 . . . . 0.0 112.843 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 9.0 p -138.92 139.76 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.99 145.01 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -127.4 134.35 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -126.48 132.93 51.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.41 130.03 55.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.5 m -109.56 115.26 29.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 128' ' ' PRO . 45.0 p90 -106.25 125.03 50.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.85 91.92 28.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.208 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--N 1.346 0.397 0 C-N-CA 122.529 2.153 . . . . 0.0 112.236 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.9 p -108.63 158.44 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.958 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -130.1 146.47 51.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -125.55 133.66 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.29 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -142.02 117.43 10.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.96 127.89 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.09 111.27 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . 0.421 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.3 OUTLIER -109.19 147.03 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -113.05 137.54 51.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 160' ' ' PHE . 44.4 m-85 -128.55 174.89 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -79.03 -30.58 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -52.18 66.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.0 t -62.5 -47.51 83.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.4 p -62.79 -31.54 72.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.63 -33.81 73.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -59.94 -41.17 91.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.81 -31.14 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -68.32 -34.96 77.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.4 HD13 HG23 ' A' ' 14' ' ' ILE . 32.0 mm -70.73 -50.93 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -37.44 87.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -67.18 -36.2 81.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -35.63 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -62.87 -47.83 81.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -100.15 161.44 13.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -126.08 121.33 32.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -115.06 165.92 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tp -130.24 116.82 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -94.75 134.4 37.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.3 tt -154.75 136.08 9.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 18.7 Cg_endo -60.1 125.31 17.24 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.462 2.108 . . . . 0.0 112.228 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.31 -77.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.5 tt -156.25 158.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 ' CZ ' ' A' ' 155' ' ' PHE . 55.9 m -136.75 138.02 40.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.94 145.27 10.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -146.13 173.23 26.5 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.682 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -126.48 171.33 11.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 0.0 110.711 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -140.42 134.56 6.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.586 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 mt -122.03 123.01 40.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.9 t -132.21 157.88 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.57 163.16 39.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.72 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 67' ' ' TRP . 19.7 p90 -115.64 154.7 29.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -119.89 147.01 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.89 -22.87 10.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.507 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -92.66 35.04 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.18 44.38 88.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.615 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.64 147.41 31.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.407 ' CZ3' ' HB3' ' A' ' 61' ' ' TRP . 15.4 t-105 -129.98 95.94 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -74.52 146.92 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.749 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.52 118.32 1.4 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.711 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.415 HD11 ' CD2' ' A' ' 88' ' ' TYR . 4.3 mp -114.55 146.05 41.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.558 0.218 . . . . 0.0 110.466 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.401 ' HB2' ' HA3' ' A' ' 87' ' ' GLY . 4.2 m-85 -113.48 155.91 24.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.977 0.418 . . . . 0.0 111.165 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.32 133.04 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.595 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.2 mtt -161.1 166.93 27.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 0.0 111.267 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.16 132.82 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -125.68 171.79 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.01 140.61 50.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.33 -173.47 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -35.0 64.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -101.33 -66.02 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -175.55 103.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -168.15 112.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -94.37 123.41 37.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -112.53 98.83 45.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -81.74 159.98 18.95 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.663 2.242 . . . . 0.0 112.51 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.9 mt -139.61 147.67 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.85 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.21 156.99 47.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.086 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.401 ' HA3' ' HB2' ' A' ' 71' ' ' TYR . . . -138.05 144.97 16.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.331 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.415 ' CD2' HD11 ' A' ' 70' ' ' LEU . 42.7 m-85 -152.17 109.93 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.832 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.03 169.89 41.14 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.539 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -115.09 154.81 28.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -157.16 163.33 39.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.7 m -115.88 116.25 27.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.86 119.5 33.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.13 148.96 52.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -116.45 132.4 23.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.15 174.63 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.428 2.085 . . . . 0.0 112.337 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mp -94.86 -41.47 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.03 -43.63 43.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -81.79 172.41 13.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.87 -63.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -68.04 -32.65 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -62.13 123.17 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.74 146.43 50.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.13 144.82 40.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.78 135.12 5.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.2 tt -126.77 141.58 51.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.59 -159.79 24.6 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -122.05 131.37 53.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.9 p -122.06 134.69 54.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.3 113.92 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -101.57 140.28 14.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 28.4 m -115.38 125.9 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.087 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -99.95 111.89 24.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.208 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.8 pt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.685 0.279 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.57 118.14 3.15 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.809 2.34 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -99.95 108.44 51.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.25 156.31 51.58 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.545 2.163 . . . . 0.0 112.246 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.8 m -150.04 115.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.3 117.95 22.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 128' ' ' PRO . 5.0 mt -147.93 146.56 24.16 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 14.8 Cg_exo -68.86 136.51 35.63 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.609 2.206 . . . . 0.0 112.08 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 tt -150.1 152.78 35.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -140.86 161.58 37.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.91 117.2 23.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 31.3 m -134.51 137.8 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.55 -155.48 15.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -171.03 140.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.775 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.05 -135.37 51.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.331 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -86.31 37.12 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.727 2.285 . . . . 0.0 112.79 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.13 121.79 10.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.786 0.327 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 56.3 m -125.03 130.38 52.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.71 143.3 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -115.12 145.45 42.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 16.3 mtm -131.74 130.01 41.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.2 m -120.97 151.09 40.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.48 141.32 51.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 30.2 mm -112.29 91.93 17.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.642 2.228 . . . . 0.0 112.372 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 20.4 t -108.43 139.39 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.72 147.01 31.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER -128.26 128.07 43.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -104.81 122.57 46.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.413 ' CH2' ' HB3' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -118.68 161.26 20.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.2 ttp -116.33 144.3 44.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -150.23 123.13 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -111.34 145.01 39.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.32 116.94 33.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -128.1 159.66 34.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.787 0.327 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.89 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.1 -42.35 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t -56.49 -28.39 59.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.8 m -58.31 -33.48 69.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -76.08 -31.52 58.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -59.37 -37.63 78.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.19 -31.3 71.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.86 -56.96 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.5 pt -59.55 -33.6 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.77 -31.69 63.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.78 -59.25 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.5 p -59.82 -30.88 69.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -60.11 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.8 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -115.47 144.82 43.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.65 104.18 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.417 ' HD2' HE21 ' A' ' 161' ' ' GLN . 5.7 m-20 -89.39 126.09 35.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.433 ' CB ' ' CZ ' ' A' ' 160' ' ' PHE . 4.9 mp -108.32 149.81 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 12.9 m-85 -133.43 130.67 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 pt -138.21 153.55 73.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HA ' ' CE3' ' A' ' 157' ' ' TRP . 54.3 Cg_endo -69.96 156.56 62.54 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.587 2.191 . . . . 0.0 112.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.69 -69.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tp -146.32 141.92 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.075 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.0 p -141.26 153.36 45.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.624 -0.191 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.9 169.42 15.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.56 -153.11 9.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -134.92 168.63 18.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.32 175.01 37.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -119.01 146.06 45.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.76 175.06 6.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -158.68 165.15 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.466 ' CD1' ' CE2' ' A' ' 67' ' ' TRP . 12.9 m0 -129.21 127.97 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.48 146.83 24.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.06 -23.74 8.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.48 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.77 34.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.723 0.297 . . . . 0.0 111.09 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.96 45.8 85.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.575 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.52 151.41 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.466 ' CE2' ' CD1' ' A' ' 61' ' ' TRP . 5.2 m95 -129.25 101.55 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.88 162.34 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 88' ' ' TYR . . . 169.06 171.88 35.24 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.627 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.98 166.08 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 87' ' ' GLY . 18.9 p90 -148.93 121.22 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.68 121.57 43.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 23.9 ttp -133.87 126.42 30.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.92 140.02 31.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -121.32 117.39 26.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -83.11 139.66 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -112.28 -177.23 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -74.94 -33.13 61.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -163.05 34.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -130.05 23.86 5.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.46 -169.01 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.078 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -90.94 155.01 19.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -136.63 98.92 10.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.79 154.76 54.0 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.504 2.136 . . . . 0.0 112.296 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mp -142.75 119.99 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.97 117.98 35.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.422 ' O ' ' CE2' ' A' ' 71' ' ' TYR . . . -135.79 139.97 11.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.293 -0.956 . . . . 0.0 113.008 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.417 ' CE1' ' HA2' ' A' ' 69' ' ' GLY . 2.6 t80 -96.38 125.81 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.47 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.62 152.13 19.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.731 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -106.15 139.42 40.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -150.11 131.79 14.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.981 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.7 t -96.49 126.92 42.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.1 p -79.8 143.58 34.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -145.99 124.28 12.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -101.38 128.74 28.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.799 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.81 -174.49 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.433 2.088 . . . . 0.0 112.36 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mt -110.66 -32.37 6.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.17 70.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.78 179.13 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -131.08 -55.62 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -60.89 -31.15 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.27 121.16 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.34 130.97 54.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.54 145.09 44.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.72 148.44 17.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.8 tp -149.72 152.55 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.87 -162.94 35.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.552 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -112.43 170.99 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.2 p -146.72 115.63 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.81 148.02 52.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -176.16 -157.49 17.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.738 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.34 153.64 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.8 p -105.12 157.22 17.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.592 0.234 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.93 158.5 24.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.507 2.138 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.98 99.68 24.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.58 133.99 36.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.405 2.07 . . . . 0.0 112.474 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -149.97 146.16 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.28 125.82 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.03 160.02 34.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.82 153.0 73.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.749 2.3 . . . . 0.0 112.174 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.7 tt -161.6 153.46 19.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.97 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -137.21 175.35 9.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.4 t -150.23 118.22 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 15.0 m -141.98 125.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -163.3 -152.24 6.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 134' ' ' TYR . 30.0 p90 -171.06 135.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 64.0 -135.72 40.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.409 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -87.3 28.9 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.816 2.344 . . . . 0.0 113.024 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.98 106.29 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.7 m -109.13 130.06 55.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -107.04 113.96 27.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -106.79 136.62 46.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.1 ptp -122.38 129.99 52.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.2 t -108.18 139.16 43.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -109.65 120.6 43.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 27.9 mt -102.31 107.66 54.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 C--N 1.346 0.41 0 C-N-CA 122.341 2.027 . . . . 0.0 112.328 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.1 t30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.717 0.294 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.25 143.95 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' A' ' 154' ' ' TYR . 3.5 m-85 -108.43 146.98 32.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -136.74 127.71 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -97.66 151.17 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.418 ' CE3' ' HA ' ' A' ' 29' ' ' PRO . 97.7 m95 -155.09 139.77 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -96.84 140.8 30.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.401 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -132.24 134.66 45.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 160' ' ' PHE . 2.3 p90 -144.97 128.08 16.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . 0.417 HE21 ' HD2' ' A' ' 25' ' ' ASP . 43.5 tt0 -89.95 134.36 34.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.83 115.25 17.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.874 0.369 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -31.7 69.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 88.5 mtp -64.36 -46.36 83.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.0 p -60.58 -48.7 80.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.7 p -60.26 -35.16 74.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.71 -31.51 71.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -63.5 -40.94 98.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -34.56 75.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.22 -49.19 72.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 tp -69.48 -31.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.55 -34.15 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -74.47 -44.18 52.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.7 t -65.17 -34.0 77.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.419 ' CE1' HD23 ' A' ' 163' ' ' LEU . 98.7 m-70 -144.68 172.79 12.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.41 120.56 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -104.38 140.35 38.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.413 HD22 ' CE2' ' A' ' 56' ' ' PHE . 5.2 mt -135.78 112.41 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.04 125.91 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.2 mt -138.22 135.86 18.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.76 106.93 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.447 2.098 . . . . 0.0 112.241 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.64 -69.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 pt -157.67 164.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 p -139.01 174.55 10.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.99 149.33 20.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.522 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -107.95 139.75 15.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.413 ' CE2' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -152.04 127.71 10.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.36 -163.02 17.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.526 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mt -132.68 169.82 16.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 p -142.18 157.67 44.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.11 175.59 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -144.09 138.17 28.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -95.25 147.48 23.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.7 -21.32 17.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.455 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -91.65 35.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 111.226 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.43 51.58 55.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.625 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.02 155.39 35.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -128.23 106.83 9.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -127.82 133.59 49.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.58 177.06 43.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.405 ' CD2' ' N ' ' A' ' 71' ' ' TYR . 7.1 tt -125.74 162.79 24.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.649 0.262 . . . . 0.0 110.768 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.417 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 54.2 p90 -144.12 118.87 9.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.857 0.36 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.82 117.45 30.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.95 122.3 47.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.5 130.32 45.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.46 124.83 43.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -82.97 134.59 35.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.68 -176.64 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.5 p -86.81 -13.07 46.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.363 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.06 26.51 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.641 0.257 . . . . 0.0 111.166 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 54.94 42.42 31.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -130.53 155.72 46.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.419 ' CZ3' ' HG3' ' A' ' 84' ' ' PRO . 22.9 p-90 -115.28 131.24 56.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.93 98.8 22.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.419 ' HG3' ' CZ3' ' A' ' 82' ' ' TRP . 89.7 Cg_endo -78.36 156.54 29.09 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.551 2.167 . . . . 0.0 112.296 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.2 tt -151.34 119.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.197 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.52 117.85 33.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.712 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.417 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -118.94 138.36 13.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.556 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -89.3 118.69 29.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.775 0.322 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -98.09 122.11 7.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -126.96 111.94 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.794 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -145.19 168.05 21.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.0 p -119.46 107.63 13.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.814 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 t -76.82 141.42 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -134.44 122.61 22.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -96.89 109.29 48.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.16 -175.45 0.82 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.364 2.043 . . . . 0.0 112.324 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.84 -32.18 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.88 89.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.21 147.68 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.22 -45.67 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -65.03 -31.92 73.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.45 119.04 20.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -115.62 126.48 54.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.1 tt -119.44 121.09 38.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -133.13 176.28 19.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.29 147.82 27.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.818 0.342 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.25 -148.16 11.85 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -146.93 166.21 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.1 p -147.41 118.13 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.36 118.56 33.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -93.54 134.3 12.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.616 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 28.0 t -111.86 115.09 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 111.034 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 24.9 p -98.87 140.31 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.596 0.236 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.02 162.98 10.36 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.48 2.12 . . . . 0.0 112.266 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.18 87.0 56.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.13 152.0 44.87 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.616 2.211 . . . . 0.0 112.383 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.0 m -150.06 116.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.8 mt -82.03 128.95 34.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.07 116.89 11.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.765 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.65 138.95 42.94 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.527 2.151 . . . . 0.0 112.111 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 pp -166.89 163.14 16.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -109.26 169.49 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.017 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.03 135.35 48.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.84 158.86 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.9 151.06 23.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.72 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.449 ' CE2' ' CG1' ' A' ' 137' ' ' VAL . 2.1 p90 -160.7 111.93 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.395 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 65.96 -136.14 35.3 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.92 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -88.74 23.96 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.779 2.32 . . . . 0.0 112.779 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.449 ' CG1' ' CE2' ' A' ' 134' ' ' TYR . 10.4 p -142.13 150.08 19.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.843 0.354 . . . . 0.0 111.405 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.5 p -125.01 145.05 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.765 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.81 125.24 37.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.959 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -114.29 140.65 48.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.74 131.75 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.1 m -111.01 146.99 35.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 143' ' ' TYR . 5.0 p90 -139.22 106.51 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 8.3 tt -95.54 124.1 54.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.446 2.097 . . . . 0.0 112.243 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.5 t -114.15 138.26 44.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -121.39 141.59 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -142.24 134.34 27.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -129.46 148.22 51.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -145.85 163.74 34.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.767 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 8.6 ttm -108.89 148.55 30.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.45 128.09 30.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.54 137.34 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -117.09 107.91 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.88 136.73 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.419 HD23 ' CE1' ' A' ' 23' ' ' HIS . 11.5 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -78.93 -34.44 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 ttm -68.1 -31.85 71.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -57.95 4.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -60.79 -32.51 71.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.408 ' CE2' HG23 ' A' ' 14' ' ' ILE . 60.4 t80 -75.18 -44.38 46.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -66.8 -31.47 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -69.5 -34.26 74.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.38 -55.08 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.964 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.408 HG23 ' CE2' ' A' ' 10' ' ' PHE . 2.6 pp -59.29 -37.62 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -30.1 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -77.2 -46.98 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -60.36 -48.17 82.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -62.8 -49.83 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -120.86 177.18 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.25 117.63 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -111.68 139.45 47.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mp -101.77 140.51 35.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CZ ' ' HD2' ' A' ' 159' ' ' ARG . 11.1 m-85 -123.25 115.96 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 mm -141.69 135.92 15.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.67 159.31 51.32 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.497 2.132 . . . . 0.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.69 -50.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.424 ' N ' ' CD1' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -141.11 156.34 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -154.77 142.51 19.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.99 -167.09 33.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.86 -144.9 10.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.541 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -124.9 174.04 8.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.98 160.5 32.54 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.16 160.56 18.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -159.52 163.1 35.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.988 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.8 mtm-85 -137.34 151.82 49.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -99.98 116.93 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.15 140.09 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.77 -22.56 5.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.47 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -90.7 30.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 111.061 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.15 48.99 75.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.572 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -121.29 153.12 38.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -123.57 110.49 15.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -134.03 137.31 44.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.69 159.2 31.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.834 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.7 tp -89.63 159.37 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.693 0.282 . . . . 0.0 110.75 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 71.9 m-85 -126.25 118.78 25.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.666 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.8 110.0 21.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.404 ' CG ' ' CG2' ' A' ' 85' ' ' ILE . 2.2 ptt? -138.98 151.31 46.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -122.62 144.74 48.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -103.93 113.08 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.688 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 123.33 29.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.41 152.89 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.88 -25.25 63.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -139.34 -42.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -165.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -110.99 -177.85 3.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -74.15 139.04 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -109.58 98.87 34.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.774 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.74 146.26 53.66 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.556 2.171 . . . . 0.0 112.409 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.404 ' CG2' ' CG ' ' A' ' 73' ' ' MET . 11.3 tt -150.39 136.38 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -130.9 117.96 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.751 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.58 135.92 7.72 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.953 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 125.3 35.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.775 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.51 146.38 16.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 24.0 t90 -121.34 111.98 18.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.318 . . . . 0.0 110.718 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.96 147.84 52.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -95.49 132.87 40.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 m -91.39 131.87 36.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -146.05 147.58 31.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -124.01 143.18 41.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.47 -176.14 2.6 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.478 2.119 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.25 -31.21 10.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.92 -30.32 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -127.65 152.13 48.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -109.26 -31.18 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.423 ' HB2' ' CE2' ' A' ' 134' ' ' TYR . 4.3 m-80 -83.0 -26.16 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 133' ' ' GLY . 2.5 t80 -56.21 116.53 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -92.52 136.34 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 mt -142.77 148.47 37.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.65 165.12 34.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.65 152.12 28.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.19 -164.59 37.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -116.05 170.76 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.792 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.9 p -146.29 112.73 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.001 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.21 132.24 54.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.44 171.45 27.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.84 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.85 124.51 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 t -103.79 133.99 47.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.291 -179.881 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.416 ' CG2' ' HD2' ' A' ' 122' ' ' PRO . 3.7 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.583 0.23 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.416 ' HD2' ' CG2' ' A' ' 121' ' ' ILE . 87.1 Cg_exo -47.35 107.18 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.63 2.22 . . . . 0.0 112.675 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.56 129.94 23.87 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.629 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.41 146.0 54.94 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.496 2.131 . . . . 0.0 112.535 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.6 p -150.0 116.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.993 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.1 tp -111.06 134.42 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.05 146.56 20.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.21 128.92 14.36 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.59 2.193 . . . . 0.0 112.282 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.1 tt -133.8 151.38 51.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.971 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -136.97 159.3 42.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m -132.29 114.25 14.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 31.0 m -144.99 125.05 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.405 ' O ' ' CD1' ' A' ' 102' ' ' PHE . . . -168.94 -142.18 3.44 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.46 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' A' ' 101' ' ' ASN . 13.3 t80 -166.05 128.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.764 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.36 -132.18 30.1 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.543 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -85.1 14.03 2.6 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.703 2.269 . . . . 0.0 113.215 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.5 m -126.43 116.49 45.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.814 0.34 . . . . 0.0 111.242 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.98 119.81 29.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -79.76 143.73 34.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -106.6 135.59 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.9 130.12 50.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.1 m -127.38 140.28 52.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 143' ' ' TYR . 3.0 m-85 -115.92 113.32 23.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.8 mt -113.44 92.26 22.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo . . . . . 0 C--N 1.344 0.335 0 C-N-CA 122.543 2.162 . . . . 0.0 112.312 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 12.2 p -109.49 134.82 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -114.27 137.55 51.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -114.95 143.97 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -122.34 123.18 40.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -118.46 167.11 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' MET . . . . . 0.414 ' HE1' ' CE1' ' A' ' 160' ' ' PHE . 3.3 mtp -105.3 138.56 41.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 1.8 ttp180 -122.95 116.46 23.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . 0.414 ' CE1' ' HE1' ' A' ' 158' ' ' MET . 2.2 m-85 -109.01 146.97 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -100.39 117.35 34.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.55 140.78 52.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -29.97 44.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -58.61 -33.15 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m -80.01 -31.09 39.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 m -75.42 -33.75 60.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.97 -35.29 59.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -64.63 -31.84 73.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.32 -32.33 70.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.44 -56.99 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -44.28 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.97 -28.23 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -70.16 -46.56 64.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -73.79 -30.92 63.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -30.15 45.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.887 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.846 0.355 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -139.49 176.19 8.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -106.51 98.0 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.68 162.49 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.81 129.45 36.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.67 120.06 37.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.3 mm -128.93 138.98 34.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -52.08 150.33 19.14 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.53 2.154 . . . . 0.0 112.297 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.78 -75.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pt -154.85 123.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.7 p -111.59 143.96 41.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.59 159.71 11.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.12 -175.81 21.86 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.607 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -132.69 174.11 10.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.301 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.81 132.95 4.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.614 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -108.63 123.05 48.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -85.33 155.67 21.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -154.77 155.41 34.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.778 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.5 m-90 -113.14 136.61 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.79 136.9 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -52.86 -24.42 9.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.394 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -94.3 34.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.48 44.66 85.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.446 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.97 161.07 19.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.137 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.48 112.94 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.732 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.97 163.11 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.72 159.88 26.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.684 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 7.4 tt -99.27 166.0 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.608 0.242 . . . . 0.0 110.709 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 18.4 p90 -148.89 118.93 7.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 110.979 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -97.15 110.02 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.4 ttm -110.92 121.92 46.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.85 130.02 56.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.96 126.29 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -94.51 145.18 24.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -111.15 170.51 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -59.71 -30.46 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -166.64 41.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -134.0 26.01 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 56.62 -165.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 12.8 p-90 -101.92 144.16 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.788 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.82 102.64 54.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -79.7 153.88 23.3 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.566 2.178 . . . . 0.0 112.214 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.446 HD13 HG21 ' A' ' 85' ' ' ILE . 25.1 mt -149.56 119.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -116.99 117.82 30.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.428 ' O ' ' CE2' ' A' ' 71' ' ' TYR . . . -134.85 144.61 16.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.785 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' A' ' 70' ' ' LEU . 75.9 m-85 -95.52 124.65 39.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.761 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.54 129.7 9.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.8 m-90 -107.67 112.06 24.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.81 0.338 . . . . 0.0 110.737 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.536 ' HE2' HG21 ' A' ' 109' ' ' THR . 11.6 mp0 -132.49 153.47 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.73 120.81 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.5 p -90.09 137.8 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.956 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -145.99 123.12 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.26 132.2 25.98 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.33 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.456 2.104 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.3 -28.9 11.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.87 -44.87 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.9 165.58 32.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -96.11 -36.5 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -60.0 -30.83 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.07 91.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -92.24 120.23 32.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.75 117.31 32.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -128.35 138.51 10.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mt -146.0 140.46 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.3 -153.82 22.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.589 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 108' ' ' PHE . 7.1 m-85 -129.47 171.05 12.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.805 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.536 HG21 ' HE2' ' A' ' 91' ' ' GLU . 36.9 p -145.76 142.96 29.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.25 135.81 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -144.73 174.8 24.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.633 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.7 p -127.99 139.55 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 111.138 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.1 m -103.71 142.48 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.456 HG21 HD13 ' A' ' 121' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.511 0.196 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.86 120.13 6.66 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.395 2.063 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.3 mt -103.39 92.13 3.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.93 154.27 71.17 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.47 2.113 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.19 152.03 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.98 120.96 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.8 pp -149.97 136.35 10.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.18 153.05 36.02 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.51 2.14 . . . . 0.0 112.305 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.2 pp -168.17 162.31 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.57 158.68 33.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.0 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.5 t -128.46 143.81 51.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.01 116.06 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.09 149.36 18.39 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.625 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -154.67 111.96 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.5 -133.42 51.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.066 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -88.23 24.36 0.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.75 2.3 . . . . 0.0 112.884 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.09 140.95 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.871 0.367 . . . . 0.0 111.22 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 80.2 m -125.13 128.29 48.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.74 144.0 37.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.58 123.8 19.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 1.1 tpp -108.85 142.86 38.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 16.4 p -123.02 151.99 41.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 154' ' ' TYR . 3.2 m-85 -136.56 121.82 19.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 6.6 tp -106.26 129.9 23.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 C--N 1.346 0.435 0 C-N-CA 122.444 2.096 . . . . 0.0 112.303 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.4 t30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.0 m -147.44 146.48 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.406 ' HB3' ' CE1' ' A' ' 143' ' ' TYR . 7.0 p90 -132.39 142.99 49.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -112.68 134.56 54.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -98.84 155.46 17.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.074 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -154.07 141.88 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 12.7 mtp -92.17 154.2 18.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -139.58 120.11 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -113.44 139.26 49.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -102.54 115.58 30.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -115.4 130.19 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -42.94 99.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 mtt -63.03 -44.3 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -64.0 -31.66 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.0 m -68.69 -31.38 70.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -72.76 -36.09 67.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -59.55 -31.18 69.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.96 -30.72 69.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -74.91 -36.38 62.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.6 mm -68.36 -50.54 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.18 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -30.56 70.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -45.43 70.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 t -74.2 -31.54 62.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -68.06 -35.4 78.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -140.73 149.91 42.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.37 116.14 31.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' HD2' ' HB2' ' A' ' 59' ' ' SER . 1.3 m-20 -105.71 119.43 39.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.79 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.9 143.22 26.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -138.78 122.41 17.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.498 HG23 HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -155.82 152.94 25.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.83 158.21 58.33 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.329 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.93 -76.06 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pp -153.54 159.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.8 p -142.53 117.11 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 54.3 m95 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.05 150.43 22.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.468 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -113.55 135.95 12.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.578 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -152.13 119.08 5.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.284 . . . . 0.0 110.603 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.41 178.09 16.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.703 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.1 141.59 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.798 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.43 ' HB2' ' HD2' ' A' ' 25' ' ' ASP . 0.4 OUTLIER -90.26 153.79 20.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.99 100.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.718 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -99.84 164.03 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -110.58 152.62 26.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.786 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -55.9 -20.72 16.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.544 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -90.37 35.04 0.87 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.686 0.279 . . . . 0.0 111.269 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.62 53.54 40.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.629 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -121.62 145.86 47.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -118.74 113.42 21.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -134.02 156.03 48.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.07 169.01 40.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.608 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 88' ' ' TYR . 2.7 mp -104.11 166.06 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.666 0.27 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -129.4 118.82 22.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.66 109.83 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.3 ttp -118.08 144.23 45.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.06 129.94 38.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.92 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.06 112.98 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -99.84 111.56 23.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -69.86 -177.07 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -86.39 -20.34 28.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.207 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.95 30.09 0.31 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 0.0 110.733 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.77 -163.66 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.671 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -98.51 176.84 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 27.8 p90 -82.07 151.25 27.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -114.93 98.98 51.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.35 150.42 36.67 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.555 2.17 . . . . 0.0 112.322 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mt -143.97 139.24 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.3 117.8 12.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.674 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -130.95 -170.44 12.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.627 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.404 ' CE2' HD11 ' A' ' 70' ' ' LEU . 56.6 m-85 -145.48 121.81 10.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.788 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.15 148.08 16.38 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.438 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -145.76 121.36 10.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -149.53 167.82 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 m -121.42 105.86 10.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.8 p -107.21 127.44 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -129.54 161.7 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 155.14 48.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.34 175.52 7.65 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.59 2.193 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.04 -30.78 69.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.54 -31.07 69.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.98 96.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -150.24 -178.17 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -60.53 -33.04 72.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.51 127.12 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -143.85 144.23 31.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.89 140.32 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -156.89 174.2 34.54 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.56 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.1 mt -144.96 138.47 26.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -163.42 -158.75 10.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.579 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -133.09 123.5 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.2 m -97.73 109.19 21.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.72 164.24 14.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -178.79 166.74 36.65 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.647 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.8 165.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.91 148.42 44.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.675 0.274 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.33 162.99 40.6 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.575 2.183 . . . . 0.0 112.347 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.0 tp -102.09 96.83 7.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.81 147.03 61.68 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.524 2.149 . . . . 0.0 112.394 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.01 125.99 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.16 137.86 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -149.97 116.91 3.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 15.0 Cg_exo -68.6 128.48 17.17 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.532 2.155 . . . . 0.0 112.124 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.9 mp -142.44 162.03 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -131.23 161.32 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 m -118.57 119.77 35.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.02 115.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -172.17 -149.6 6.77 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.432 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.426 ' CZ ' HG21 ' A' ' 137' ' ' VAL . 53.6 p90 -169.67 120.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.765 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.55 -132.35 29.68 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.706 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.73 -4.67 15.16 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.866 2.377 . . . . 0.0 113.516 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.426 HG21 ' CZ ' ' A' ' 134' ' ' TYR . 5.2 m -109.04 119.58 58.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.4 m -125.09 108.92 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.413 ' CZ ' ' HB1' ' A' ' 156' ' ' ALA . 26.3 t80 -101.48 114.47 28.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.811 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -109.6 145.97 35.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.37 148.67 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.696 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 61.0 m -123.36 152.02 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.7 122.53 33.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.615 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' A' ' 144' ' ' ILE . 3.3 mp -108.48 91.87 9.12 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.17 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 C--N 1.345 0.359 0 C-N-CA 122.554 2.169 . . . . 0.0 112.221 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.9 m -123.21 152.97 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -123.63 125.23 44.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.431 ' CD2' ' CZ2' ' A' ' 157' ' ' TRP . 0.3 OUTLIER -104.04 122.72 45.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.413 ' HB1' ' CZ ' ' A' ' 139' ' ' PHE . . . -96.69 140.74 30.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.431 ' CZ2' ' CD2' ' A' ' 155' ' ' PHE . 24.3 m95 -136.6 158.52 44.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -120.52 141.31 50.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -134.37 126.2 29.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.27 128.72 53.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.33 120.2 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.28 175.05 8.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -30.81 65.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 ttt -75.76 -33.72 60.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -53.56 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -64.86 -31.41 72.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.74 -31.0 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -57.21 -36.39 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.76 -40.43 95.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -64.09 -34.66 78.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.409 HG21 ' CD1' ' A' ' 18' ' ' TRP . 31.9 mm -70.52 -34.12 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.062 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.15 83.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.072 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -65.89 -47.93 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.5 p -60.37 -35.26 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.409 ' CD1' HG21 ' A' ' 14' ' ' ILE . 2.2 m95 -60.12 -52.3 65.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.875 0.369 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -90.69 149.55 22.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -103.91 105.2 15.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.14 134.02 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.61 147.82 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 159' ' ' ARG . 8.0 m-85 -138.99 135.09 33.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 pt -156.02 132.92 6.27 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.69 166.63 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.471 2.114 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.73 -63.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.3 mt -136.03 124.37 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.7 t -123.3 163.14 21.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -118.83 147.86 18.41 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.0 146.37 17.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.625 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -152.18 166.45 31.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.771 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.99 157.57 28.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.726 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -127.08 146.99 50.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.769 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.75 150.72 20.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.026 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -159.47 160.93 35.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -126.08 137.45 53.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.29 136.99 37.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -52.99 -22.68 5.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.556 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -90.4 35.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.666 0.27 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 53.03 43.62 62.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.628 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -122.03 161.06 23.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 111.043 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.13 125.18 49.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -118.38 159.92 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.42 130.38 2.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.9 163.42 22.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.668 0.27 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 4.3 m-85 -119.98 118.78 31.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.604 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 85' ' ' ILE . . . -122.53 109.85 14.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.2 mtt -143.48 169.88 16.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 111.247 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.32 129.96 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -106.62 114.17 28.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.999 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 98.31 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.844 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.63 179.76 5.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.7 m -80.57 -2.89 48.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.371 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -135.77 -47.53 0.67 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -60.66 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.811 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -125.93 165.38 18.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -66.84 132.14 47.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -132.98 98.85 15.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.88 156.45 56.58 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.451 2.101 . . . . 0.0 112.281 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 4.2 mp -137.38 127.6 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.25 117.68 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.569 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.18 -156.09 7.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.929 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -157.04 138.29 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.741 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.66 155.88 17.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.583 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -115.83 116.82 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -145.72 168.08 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -129.87 113.23 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 p -95.15 135.69 36.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -135.4 113.95 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -96.72 133.96 23.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.48 88.41 1.17 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.52 2.147 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.48 -27.14 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.66 72.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.207 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -167.89 166.81 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 63.24 141.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -94.04 5.12 52.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.407 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.36 114.36 2.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -93.95 135.96 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.3 tp -116.1 154.24 30.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -165.82 139.07 5.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.1 mt -137.72 139.5 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 168.9 -172.0 43.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.58 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -117.32 171.01 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.415 HG21 ' CE1' ' A' ' 71' ' ' TYR . 27.9 p -137.99 117.98 13.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.18 116.85 21.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.55 158.85 27.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.4 m -101.68 145.06 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.4 p -112.91 133.17 55.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.544 0.211 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.38 161.07 46.39 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.456 2.104 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -131.68 100.12 16.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.39 148.19 73.09 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.407 2.071 . . . . 0.0 112.281 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.98 119.93 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.81 129.72 56.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.98 129.46 6.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.46 130.06 12.49 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.496 2.13 . . . . 0.0 112.426 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 pp -150.3 171.39 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -131.29 164.76 24.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.7 m -120.29 129.13 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.05 115.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -133.89 177.94 18.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.682 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -165.89 122.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.613 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 66.4 -134.84 33.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.382 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -86.56 20.87 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.773 2.315 . . . . 0.0 112.967 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 9.4 p -136.57 137.0 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 42.9 m -124.99 145.1 50.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -130.67 143.84 51.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -135.26 122.1 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 8.0 mtt -115.08 146.79 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.021 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 8.9 t -133.32 133.56 42.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . 0.418 ' HB3' ' CE1' ' A' ' 154' ' ' TYR . 13.6 p90 -135.9 133.53 37.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.041 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.3 pt -121.4 91.99 48.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo . . . . . 0 C--N 1.345 0.37 0 C-N-CA 122.555 2.17 . . . . 0.0 112.404 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.65 136.1 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 143' ' ' TYR . 2.5 m-85 -112.43 147.0 37.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.783 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.07 121.09 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -103.17 126.17 50.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.048 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -130.91 128.56 40.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 28.0 mtp -83.01 149.91 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.417 ' HB2' ' CE1' ' A' ' 27' ' ' TYR . 10.4 ttm180 -140.06 148.79 42.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -128.99 146.69 50.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -101.16 124.37 46.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -138.76 121.94 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.813 0.34 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -79.02 -37.18 39.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.2 mtp -66.73 -41.86 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 p -60.48 -32.76 71.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -73.66 -39.63 64.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -36.06 80.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -77.45 -37.95 50.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.13 -39.91 90.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.16 -51.69 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.2 tt -61.56 -43.18 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.06 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.18 80.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -66.86 -52.24 45.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -59.91 -35.77 75.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -71.44 -42.43 68.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -97.47 174.09 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -116.04 99.8 7.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.13 122.65 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.03 149.95 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.416 ' CE2' ' CD ' ' A' ' 159' ' ' ARG . 47.7 m-85 -137.18 120.31 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 tp -144.0 134.23 11.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.49 159.81 52.19 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.462 2.108 . . . . 0.0 112.322 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.39 -52.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.462 HG21 HD12 ' A' ' 31' ' ' ILE . 28.5 mm -112.22 131.45 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.1 p -150.14 148.41 28.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.1 m95 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.7 151.85 20.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.537 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.4 136.79 13.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -152.09 125.2 8.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.42 -165.21 12.46 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.558 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 pp -142.16 170.09 16.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.445 ' CB ' ' CH2' ' A' ' 67' ' ' TRP . 79.1 p -163.46 174.39 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -153.77 163.51 39.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -106.72 140.58 39.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -95.03 140.1 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -22.92 13.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.437 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -92.99 35.05 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.51 50.22 64.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.594 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.89 159.59 26.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.445 ' CH2' ' CB ' ' A' ' 59' ' ' SER . 4.0 t90 -136.85 108.58 7.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -134.13 152.07 51.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.76 164.19 30.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mt -102.17 165.98 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.701 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -139.12 118.7 13.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.759 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -101.43 109.89 21.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -114.77 137.23 52.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.741 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.76 131.84 53.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.15 117.4 23.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -95.81 129.93 42.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.11 179.65 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 m -76.37 -30.95 57.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -36.02 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.53 118.77 32.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -165.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -55.5 124.44 17.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -106.17 98.88 20.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.63 150.94 28.23 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.563 2.176 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.0 tt -153.76 124.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.04 117.91 31.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.62 135.93 10.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.504 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -92.02 110.03 21.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -96.24 125.78 8.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.95 112.01 18.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -140.36 155.17 46.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -95.06 133.19 39.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.1 146.08 27.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -143.81 143.09 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.748 ' HG2' ' HD2' ' A' ' 99' ' ' ASP . 1.3 mtt85 -96.27 104.08 16.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.69 -172.81 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.386 2.057 . . . . 0.0 112.338 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -48.51 81.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.42 -51.82 68.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.748 ' HD2' ' HG2' ' A' ' 95' ' ' ARG . 8.4 t0 59.73 175.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 64.93 -75.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -88.62 -50.97 5.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.04 134.95 43.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.35 155.94 46.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.1 mt -139.33 163.0 33.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.26 159.06 28.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.53 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.45 140.19 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.17 -160.53 28.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 1.3 m-85 -125.35 163.67 22.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 51.4 m -139.33 112.57 8.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.06 129.25 55.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -145.38 -179.24 21.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.99 150.44 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.98 127.21 44.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.765 0.317 . . . . 0.0 111.384 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.23 151.03 15.68 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.604 2.203 . . . . 0.0 112.245 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.74 86.92 42.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -61.61 140.0 84.31 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.646 2.23 . . . . 0.0 112.211 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.3 t -150.05 116.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.9 mt -113.02 123.37 50.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.05 137.22 11.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 71.0 Cg_endo -74.5 143.46 30.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.501 2.134 . . . . 0.0 112.409 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.2 mt -137.9 155.21 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -139.05 139.83 37.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.4 t -104.67 114.23 28.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.8 p -144.99 123.02 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 160.22 -140.85 7.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.529 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -119.22 152.57 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.277 . . . . 0.0 110.646 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.473 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -43.55 -50.81 6.83 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.046 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 57.5 Cg_endo -71.97 -26.9 18.04 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.423 2.082 . . . . 0.0 112.778 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 8.3 p -142.02 97.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.0 0.428 . . . . 0.0 111.239 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.6 t -97.64 144.85 26.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -104.79 119.21 38.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -108.28 114.02 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -106.42 138.83 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.2 t -119.57 147.62 44.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.65 105.98 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.963 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.29 130.13 23.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 C--N 1.345 0.368 0 C-N-CA 122.446 2.097 . . . . 0.0 112.348 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 65.5 t30 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.6 m -138.28 136.68 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -123.15 142.25 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -108.38 141.82 39.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.94 125.76 54.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 24.4 m0 -131.02 144.6 51.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -103.03 153.14 20.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.416 ' CD ' ' CE2' ' A' ' 27' ' ' TYR . 54.6 mtm180 -130.92 140.01 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -112.13 139.27 47.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -89.94 118.37 29.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.59 140.83 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -31.23 71.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtt -71.75 -55.87 6.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.974 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -59.31 -31.3 69.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -67.02 -48.18 69.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.22 -36.76 78.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -67.79 -41.39 83.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.66 -31.68 52.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -68.43 -53.78 21.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.5 tp -60.42 -35.47 63.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.91 -35.09 64.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.66 -34.71 74.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.6 p -73.16 -31.65 64.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -73.32 -31.51 64.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -173.8 161.47 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.92 149.02 23.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -125.52 130.24 51.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.24 126.86 53.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -112.77 128.82 56.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.5 pt -149.47 147.63 23.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.98 111.92 3.28 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.595 2.197 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.19 -61.34 1.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.7 pt -155.05 162.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 t -138.48 169.98 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.921 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.594 -0.202 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.94 164.94 22.43 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.393 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.01 158.05 27.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.676 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -151.97 147.07 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.06 -157.26 8.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 mt -135.99 178.24 7.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -133.72 168.68 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -156.35 148.93 23.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -100.24 127.77 46.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.58 136.83 32.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.84 -23.49 12.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.403 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -92.95 34.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.776 0.322 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.34 40.8 86.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.53 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.05 157.22 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -122.37 99.79 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.98 157.71 16.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.729 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.09 131.59 1.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.833 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.417 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 8.7 tt -98.61 156.63 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.581 0.229 . . . . 0.0 110.578 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 17.0 p90 -146.09 118.65 8.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.781 0.324 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.4 110.03 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 36.7 ttp -116.65 132.71 56.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.81 131.39 55.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 75' ' ' PHE . 15.9 p90 -119.71 138.82 53.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -96.75 129.59 44.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.74 167.05 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -5.3 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.405 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.64 -47.69 0.33 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.936 0.398 . . . . 0.0 110.769 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -75.73 -173.17 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.793 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -102.69 178.34 4.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -61.07 144.26 53.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -131.57 117.34 16.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -81.97 148.12 15.24 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.598 2.199 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.3 mp -142.92 119.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -107.25 117.84 35.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -118.28 135.79 11.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.37 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.417 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 89.0 m-85 -93.01 110.3 21.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 111.005 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -95.74 133.68 11.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.444 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.401 ' CZ3' ' O ' ' A' ' 88' ' ' TYR . 27.0 p90 -132.56 118.11 18.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -145.69 168.02 21.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 m -112.68 106.43 14.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.8 p -95.03 145.5 24.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -138.42 141.53 39.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.1 129.37 28.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.82 -169.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.472 2.115 . . . . 0.0 112.239 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.06 -34.82 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.99 -48.42 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.8 149.07 40.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.016 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -110.35 -31.87 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -59.83 -40.8 89.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 134' ' ' TYR . 1.1 t80 -70.61 143.4 51.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -136.5 151.54 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.8 tt -153.81 119.74 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.52 169.08 27.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.464 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.83 151.47 47.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.3 -147.95 9.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.67 165.17 28.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.1 p -143.87 124.71 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.43 113.96 26.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.04 109.74 3.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.25 132.38 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.0 t -98.94 140.83 32.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.717 0.294 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.4 163.01 28.21 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.616 2.211 . . . . 0.0 112.255 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.3 tp -128.01 99.57 25.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.34 156.23 41.48 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.545 2.163 . . . . 0.0 112.309 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.3 t -149.97 115.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.94 125.27 40.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.7 mp -142.47 156.63 63.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.79 125.05 12.14 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.689 2.259 . . . . 0.0 112.212 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.73 152.58 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -137.94 168.19 20.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.1 m -139.35 113.98 9.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.09 126.36 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.61 -158.3 20.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.582 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.406 ' HB3' ' CD2' ' A' ' 102' ' ' PHE . 33.9 p90 -170.91 126.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.815 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.95 -131.31 25.5 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.381 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.6 5.07 6.37 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.623 2.215 . . . . 0.0 113.043 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.6 t -112.99 116.75 53.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.809 0.338 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 69.6 m -125.05 115.41 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.015 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.41 ' CZ ' ' HE2' ' A' ' 158' ' ' MET . 32.0 m-85 -109.12 118.24 36.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -103.95 131.33 51.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.009 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 9.5 mmt -85.05 135.07 34.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.66 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.9 m -128.65 142.68 50.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.57 160.65 40.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -124.45 91.78 49.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 C--N 1.345 0.35 0 C-N-CA 122.696 2.264 . . . . 0.0 112.23 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.838 0.351 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.9 t -118.17 141.71 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -105.81 147.13 28.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -137.67 129.92 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.23 122.05 46.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.54 144.67 41.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' MET . . . . . 0.41 ' HE2' ' CZ ' ' A' ' 139' ' ' PHE . 1.2 mtt -103.0 137.29 41.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -129.27 126.57 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.91 142.71 51.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.58 120.12 31.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -109.96 144.55 38.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -62.49 -40.83 97.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.6 mtm -64.48 -39.03 93.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -63.1 -31.94 73.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 -38.06 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.12 -43.08 58.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -30.96 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -31.34 67.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -78.19 -46.6 20.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.78 -37.93 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.79 98.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -67.37 -42.0 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.7 p -62.35 -46.18 89.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -66.28 -33.56 76.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -136.81 168.51 19.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.37 108.73 15.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.57 147.03 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mp -117.4 147.18 42.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -128.79 117.74 21.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.9 mm -140.2 138.82 19.74 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.26 149.19 23.02 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.452 2.101 . . . . 0.0 112.248 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.08 -69.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.046 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.6 pt -158.36 170.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.402 ' OG1' ' CE2' ' A' ' 155' ' ' PHE . 2.2 t -155.06 147.73 24.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 5.0 t90 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.41 -168.89 25.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.57 -144.08 6.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.546 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -130.89 173.9 10.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.39 164.58 29.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.543 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.19 168.03 19.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 m -142.15 169.36 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.34 144.32 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -110.95 119.96 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.406 ' HB2' ' CB ' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -100.08 137.03 39.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -22.87 6.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.572 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 35.07 0.92 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.12 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.39 47.55 68.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.849 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' CB ' ' HB2' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -121.98 111.31 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.928 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -97.98 93.07 6.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.403 ' CE1' ' HB3' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -78.79 162.83 25.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.76 141.62 6.47 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.79 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -132.36 166.22 22.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 179.862 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 10.1 p90 -152.09 118.49 5.63 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.613 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.07 109.95 21.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 38.6 mtp -119.84 156.15 31.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -121.74 130.25 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -109.58 131.64 54.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -111.65 118.31 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.71 -175.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.7 m -69.58 -34.83 74.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -103.62 -73.94 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -166.54 105.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -162.22 88.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -73.02 130.38 40.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.22 98.76 4.3 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.07 160.05 40.37 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.517 2.145 . . . . 0.0 112.39 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.4 pp -149.69 119.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -115.94 122.93 46.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.61 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.492 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -103.55 164.44 15.5 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.979 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.403 ' CZ ' HD12 ' A' ' 70' ' ' LEU . 7.4 m-85 -156.08 130.92 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.693 0.282 . . . . 0.0 110.807 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.61 174.73 42.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.606 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.403 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 70.6 p-90 -126.82 146.38 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 110.839 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -143.65 157.9 44.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 m -102.79 125.07 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.1 p -80.5 139.22 36.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -133.95 115.27 14.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.407 ' HD2' ' CE1' ' A' ' 103' ' ' HIS . 1.1 ttt180 -133.66 141.58 40.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.01 168.22 21.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.534 2.156 . . . . 0.0 112.289 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.61 -40.39 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.21 71.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 60.43 84.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.8 -176.66 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -62.22 -32.01 72.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.35 124.45 20.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.407 ' CE1' ' HD2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -123.38 137.81 54.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.7 139.15 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -153.76 125.55 1.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mp -127.93 133.57 49.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.13 179.31 48.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 4.4 m-85 -104.53 154.81 19.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.7 p -139.49 142.5 37.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.88 114.01 27.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -86.33 109.67 3.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.28 117.15 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 26.2 m -99.04 148.91 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.491 0.186 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 162.87 1.81 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.398 2.065 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.0 tt -114.89 86.99 14.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.83 160.38 48.03 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.537 2.158 . . . . 0.0 112.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.56 116.0 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.038 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.0 114.06 21.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.019 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.04 144.52 17.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 53.2 Cg_endo -69.28 142.84 51.2 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.517 2.144 . . . . 0.0 112.337 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.67 131.33 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -105.72 163.32 12.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -144.92 124.85 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.45 129.51 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.763 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -109.21 140.85 15.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.772 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -158.13 111.79 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.175 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.49 -136.56 50.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.891 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -89.77 29.89 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.792 2.328 . . . . 0.0 112.664 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.24 136.99 29.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.919 0.39 . . . . 0.0 111.406 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.13 119.9 29.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.662 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -104.09 144.08 32.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -130.47 130.4 44.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.3 ttm -120.23 129.98 54.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 11.4 t -117.32 151.82 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.169 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 154' ' ' TYR . 4.1 m-85 -132.86 132.76 42.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.94 103.48 44.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.216 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo . . . . . 0 C--N 1.346 0.445 0 C-N-CA 122.512 2.141 . . . . 0.0 112.184 179.874 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.817 0.342 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 12.3 p -134.05 154.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.418 ' HB3' ' CE1' ' A' ' 143' ' ' TYR . 20.9 p90 -134.03 146.86 50.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.402 ' CE2' ' OG1' ' A' ' 32' ' ' THR . 5.9 m-85 -116.5 161.04 19.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.782 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -112.6 160.33 17.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -152.4 132.88 13.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 26.6 mtt -99.83 138.68 36.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -130.36 136.62 49.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.05 135.13 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.772 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -94.77 121.69 36.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.99 135.41 37.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.0 mmm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.37 -174.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.17 -56.23 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.09 -28.83 57.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.711 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.44 -40.6 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -69.83 -31.07 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.2 ttt -72.37 -55.06 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -58.19 -30.79 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.27 -46.23 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -44.88 37.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -30.22 67.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.029 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.93 -36.11 67.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.037 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -78.94 -36.68 41.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.4 mt -78.08 -36.0 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.261 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.12 64.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.272 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.91 -28.05 61.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.092 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.0 p -81.07 -25.12 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.27 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -95.76 -28.45 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.242 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -83.84 -37.21 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.086 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -108.08 80.53 1.09 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.53 -173.93 1.49 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.577 2.184 . . . . 0.0 112.188 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 60.29 110.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -110.65 147.49 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -77.08 107.67 9.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.11 154.7 17.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 pp -149.84 133.35 16.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CD1' ' HA3' ' A' ' 55' ' ' GLY . 24.8 p90 -127.5 159.83 33.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pp -154.33 158.72 32.38 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HA ' ' CD1' ' A' ' 157' ' ' TRP . 61.3 Cg_exo -51.76 148.01 23.11 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.555 2.17 . . . . 0.0 112.367 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.31 -65.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.3 pt -153.75 132.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 t -133.79 155.78 49.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -97.78 161.99 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -112.45 140.7 46.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.99 -38.87 7.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -55.58 32.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 59.75 27.7 17.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.02 163.16 12.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.24 87.56 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.51 113.05 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -149.46 31.51 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -112.4 -60.65 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.66 36.29 3.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 t -151.66 36.13 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -64.61 -31.93 73.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -130.26 166.06 21.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.28 122.15 14.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -116.8 140.98 48.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.85 122.09 46.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -114.39 146.54 36.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.45 171.54 17.5 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.551 2.167 . . . . 0.0 112.321 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -122.94 -177.86 3.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.38 -177.85 16.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.565 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -118.81 132.94 9.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' HA3' ' CD1' ' A' ' 27' ' ' TYR . . . -101.36 140.81 15.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.53 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -152.02 174.17 13.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.716 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.88 179.59 29.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.643 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.36 170.73 15.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -141.15 159.75 41.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -140.36 164.71 29.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -127.94 147.72 50.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -119.21 141.43 48.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.03 -20.73 26.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.382 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -92.08 34.99 0.99 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.744 0.307 . . . . 0.0 111.175 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.47 46.97 91.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.627 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -117.32 148.47 41.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -126.48 101.1 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.05 134.85 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -122.01 112.93 2.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.716 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -124.93 130.98 53.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.657 0.265 . . . . 0.0 110.655 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 23.2 m-85 -114.84 152.37 32.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.969 0.414 . . . . 0.0 110.971 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.38 109.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.622 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -154.08 175.63 13.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.94 130.84 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.999 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -111.46 144.31 40.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -106.89 133.52 51.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -91.32 170.02 10.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.5 p -66.92 -30.68 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.409 ' CH2' ' HG3' ' A' ' 81' ' ' LYS . 54.3 p-90 -100.52 31.37 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.09 109.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HG3' ' CH2' ' A' ' 79' ' ' TRP . 0.0 OUTLIER -175.81 118.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -94.32 122.92 37.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.591 ' HE2' HG21 ' A' ' 113' ' ' THR . 4.6 mm-40 -107.68 98.74 25.85 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.51 134.22 13.68 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.555 2.17 . . . . 0.0 112.339 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.5 mm -124.76 138.78 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.15 121.1 16.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -103.9 151.75 17.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.463 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -157.25 114.75 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.23 -161.98 22.78 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.56 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -128.63 144.9 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.736 0.303 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -137.46 148.1 45.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -110.27 105.31 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 t -104.37 127.68 52.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -94.8 142.45 27.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 -108.25 146.56 33.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.12 -167.75 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.536 2.158 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mp -93.12 -73.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.32 -52.07 25.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -66.75 -177.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.06 -45.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -59.24 -44.32 92.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -62.71 117.58 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -125.86 143.96 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 tt -144.33 127.09 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -179.32 -174.47 45.43 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.3 mp -144.76 170.9 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.24 -167.04 31.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -134.2 126.04 29.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.2 m -127.88 140.4 52.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.7 113.99 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -92.71 141.29 15.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.5 m -115.86 117.8 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.591 HG21 ' HE2' ' A' ' 83' ' ' GLU . 2.3 m -99.08 111.83 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.37 152.05 26.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.265 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -158.04 130.0 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.29 107.55 15.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.94 169.33 2.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 -98.83 32.79 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -165.75 -43.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.98 48.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.79 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.96 159.03 73.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.98 121.59 7.73 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.563 2.176 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mt -128.0 140.78 39.19 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.55 160.82 25.28 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.63 2.22 . . . . 0.0 112.394 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.8 m -150.09 142.65 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mt -94.26 127.85 40.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 tp -149.95 117.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 143' ' ' TYR . 72.9 Cg_endo -76.13 135.14 16.73 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.435 2.09 . . . . 0.0 112.371 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.3 mp -131.24 177.75 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -146.74 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.1 m -126.9 117.64 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.6 p -145.08 117.6 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.24 -169.68 38.01 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -165.41 120.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.764 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.7 -130.21 22.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.38 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -79.71 2.16 8.62 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.596 2.197 . . . . 0.0 112.877 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.4 t -110.82 98.94 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.853 0.359 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 88.8 m -111.39 126.76 55.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.3 123.45 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.95 116.78 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 7.2 mtt -110.33 149.22 30.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 65.5 m -157.0 121.11 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 128' ' ' PRO . 9.1 p90 -112.76 156.36 22.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.0 pt -129.25 91.99 40.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.89 157.8 58.91 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.626 2.217 . . . . 0.0 112.345 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -156.59 -84.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 74.4 p -127.75 -61.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -168.91 -60.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -89.38 -42.94 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -98.39 27.09 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -156.14 63.87 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.574 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -173.56 57.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.0 157.09 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -127.46 142.76 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -121.06 147.3 45.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -139.39 126.13 20.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.416 ' CD1' ' HA ' ' A' ' 29' ' ' PRO . 22.6 m0 -137.6 159.49 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.4 mtt -85.85 150.33 24.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -143.85 133.31 23.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -128.7 143.38 50.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -100.27 110.95 23.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -131.82 172.74 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 37.7 tp -124.06 133.25 53.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 63.41 -78.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 62.99 31.35 16.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -130.47 -46.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -168.85 156.74 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -120.05 -66.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 8.0 t60 68.47 -68.04 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.824 0.345 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -133.1 -172.17 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.17 -56.12 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -74.29 -28.75 61.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.603 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.63 -32.1 68.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -73.11 -29.89 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 ttm -77.85 -28.98 50.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -57.24 -44.01 83.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 t -59.78 -29.99 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -42.0 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -63.36 -37.03 85.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -35.17 75.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -62.55 -42.63 99.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.46 -42.0 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.95 86.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -69.34 -38.07 77.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 p -71.47 -36.5 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -65.92 -35.17 79.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -78.02 -42.39 32.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -80.14 150.98 72.33 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.25 153.76 9.12 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.619 2.213 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.07 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -127.83 161.62 28.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -120.91 98.48 6.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -93.02 120.82 33.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.45 ' CD1' ' CE2' ' A' ' 56' ' ' PHE . 3.5 mm? -102.32 135.16 44.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' CD1' ' HG2' ' A' ' 159' ' ' ARG . 10.0 m-85 -125.8 138.95 53.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pp -155.3 154.44 28.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.68 135.02 31.94 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.593 2.196 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.68 -75.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 tt -147.57 142.37 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.3 t -139.06 174.28 10.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -94.22 151.33 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -95.03 127.4 41.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.47 167.69 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -146.65 30.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -159.33 29.76 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.01 154.01 18.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.067 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.41 85.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -88.04 115.66 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.49 36.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.13 -66.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -162.22 -67.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.63 -62.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -118.65 -72.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -164.81 110.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.62 -36.28 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.812 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -83.42 166.92 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -129.72 117.52 20.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -67.15 149.83 98.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 172.03 13.93 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.559 2.173 . . . . 0.0 112.274 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -84.45 105.61 15.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.89 135.84 12.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.24 129.14 9.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -102.21 144.55 16.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.45 ' CE2' ' CD1' ' A' ' 26' ' ' LEU . 69.7 m-85 -152.06 173.96 14.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.735 0.303 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.17 159.64 29.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.549 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.7 tt -115.05 138.46 50.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.309 . . . . 0.0 110.768 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.0 t -90.35 153.53 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.033 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.76 159.85 30.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -137.53 144.15 41.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.06 141.41 41.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -23.56 9.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.421 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -93.1 35.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.676 0.275 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.81 50.91 58.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.557 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.08 161.08 23.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.11 121.03 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -121.39 162.87 19.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.05 158.87 25.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.549 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' CD2' ' CZ ' ' A' ' 88' ' ' TYR . 7.4 mp -108.9 166.04 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 110.69 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -116.96 118.75 33.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.779 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.49 109.84 18.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.052 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.36 152.66 41.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.81 130.01 14.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -111.5 121.83 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 118.96 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.8 -174.95 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.8 p -81.02 -35.04 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -178.16 38.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -109.3 -77.58 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -178.74 151.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 82' ' ' TRP . 1.3 m95 -77.42 151.06 34.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.96 98.81 51.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -83.08 155.65 14.88 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.616 2.21 . . . . 0.0 112.424 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -147.12 132.58 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.11 117.9 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.18 -172.76 12.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.824 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.452 ' CZ ' ' CD2' ' A' ' 70' ' ' LEU . 47.4 m-85 -143.94 114.3 7.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.706 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -110.85 146.25 17.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.65 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -115.08 111.9 21.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.74 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -124.77 163.37 22.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t -142.02 107.86 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.7 t -84.68 145.77 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -144.49 129.86 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -85.2 126.56 67.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.68 -168.26 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.413 2.075 . . . . 0.0 112.275 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.1 tp -98.54 -31.03 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.19 -51.36 25.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.55 155.81 20.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -108.15 -58.01 2.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -64.15 -37.92 89.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -72.66 114.01 10.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -113.87 136.12 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tt -118.66 119.8 35.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -131.77 178.94 17.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.9 mt -149.27 156.57 42.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.54 -164.14 33.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 108' ' ' PHE . 3.8 m-85 -136.21 170.95 15.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.76 0.314 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.6 p -142.76 129.71 20.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.43 114.77 13.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -136.38 -173.02 12.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.47 136.63 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.337 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.4 p -111.84 128.68 56.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.99 117.05 24.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.79 135.09 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -97.25 104.93 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -140.97 -47.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -95.4 -64.4 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -160.71 -63.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -166.61 44.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.0 pt -112.27 92.91 20.2 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.24 162.99 1.77 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.47 2.113 . . . . 0.0 112.378 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.37 104.84 53.1 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.792 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.28 155.66 68.52 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.419 2.079 . . . . 0.0 112.37 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.3 p -145.0 135.02 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.88 120.38 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.9 mp -149.95 146.86 21.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.417 ' HB3' ' CD2' ' A' ' 108' ' ' PHE . 65.7 Cg_endo -73.76 153.01 48.15 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.53 2.153 . . . . 0.0 112.409 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.1 150.3 4.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -107.0 179.96 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -150.73 136.39 18.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.22 115.88 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -98.82 153.16 19.8 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.614 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -155.98 111.95 3.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.45 -133.26 51.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.111 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -88.07 23.56 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.715 2.276 . . . . 0.0 112.842 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.1 m -142.12 143.82 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.904 0.383 . . . . 0.0 111.184 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 91.5 m -124.99 132.81 53.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.85 144.0 37.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.52 144.16 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.3 mmt -133.29 130.39 38.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.7 t -120.22 152.05 38.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -130.9 137.03 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.03 91.95 37.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.1 139.05 29.06 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.507 2.138 . . . . 0.0 112.282 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -146.15 -145.65 4.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.9 t -60.11 -48.17 82.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.13 -72.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -86.74 -40.7 14.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.09 -25.08 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -126.38 80.61 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -165.56 32.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 32.6 t -114.14 151.51 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -126.73 144.52 50.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -117.8 133.05 56.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -94.32 123.33 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.96 134.54 54.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.9 136.52 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.424 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 50.4 mtp180 -122.62 139.31 54.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -119.46 145.39 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.82 114.29 27.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.56 148.63 39.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.95 135.04 53.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.58 131.91 37.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -152.12 168.76 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -76.5 -31.0 57.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 60.46 100.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.1 -38.24 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -109.04 -31.7 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.918 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -122.2 25.16 9.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.26 -56.23 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.742 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.91 -28.9 58.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.715 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.8 -33.28 68.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -34.33 77.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 mmt -79.01 -33.25 45.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.7 p -66.48 -36.9 83.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -60.12 -33.58 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.73 -32.07 72.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -31.83 69.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -74.49 -40.01 62.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.46 -54.24 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pp -59.64 -37.17 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.32 86.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -64.78 -53.39 47.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -64.12 -31.22 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.39 -31.07 26.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -132.4 90.18 34.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.42 146.16 19.81 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.525 2.15 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -69.4 -63.87 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -164.1 160.88 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 1.3 m-85 -100.72 126.4 47.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.528 ' HD2' ' CA ' ' A' ' 57' ' ' GLY . 2.4 p30 -92.3 137.73 32.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.12 127.63 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 43.2 m-85 -118.65 127.48 53.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.45 HG21 HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -139.87 151.75 66.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.31 116.05 2.58 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.62 2.214 . . . . 0.0 112.332 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.76 -58.89 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 tt -165.29 134.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.25 172.7 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -103.09 135.3 45.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.04 116.56 32.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -97.73 176.23 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.244 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -85.79 -54.19 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.973 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -114.79 66.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.01 172.96 6.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.54 84.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.12 130.95 37.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -117.52 71.25 0.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -166.02 75.81 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -92.25 46.23 1.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 61.72 37.13 16.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.04 -177.96 2.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.21 -43.29 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -98.65 109.98 22.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -117.95 145.54 44.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -135.59 150.09 49.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.12 89.92 26.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.78 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.96 144.38 64.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.519 2.146 . . . . 0.0 112.355 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -134.62 162.77 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.37 179.37 21.67 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.92 175.64 13.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.11 -148.31 13.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.552 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -138.34 174.05 10.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 110.831 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.528 ' CA ' ' HD2' ' A' ' 25' ' ' ASP . . . -164.54 -175.71 35.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.563 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.443 ' CD2' ' CE1' ' A' ' 24' ' ' TYR . 3.5 mm? -116.84 147.27 42.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 p -148.17 133.57 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.0 mtm-85 -129.87 121.12 26.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.78 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -100.02 140.23 34.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.06 146.69 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.62 -19.11 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.491 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -90.56 35.21 0.88 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.645 0.26 . . . . 0.0 111.291 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.76 51.38 57.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.647 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.03 139.79 53.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -137.98 90.02 2.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.408 ' CD2' ' NE1' ' A' ' 90' ' ' TRP . 21.9 t-160 -113.71 131.69 56.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.57 154.33 21.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.73 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HG ' ' CD2' ' A' ' 88' ' ' TYR . 5.2 mp -90.02 166.04 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.84 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 45.4 m-85 -133.47 118.86 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.77 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.71 110.3 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -133.54 161.62 34.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.33 130.13 24.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.66 158.19 18.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -99.41 135.55 40.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.72 176.54 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.1 t -63.77 -31.9 73.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -88.68 -78.43 0.34 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -178.65 61.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -134.82 154.4 51.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -102.09 155.0 18.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.806 ' HE2' ' H ' ' A' ' 116' ' ' ASP . 5.0 mm-40 -136.95 102.0 9.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.11 152.76 79.38 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.343 2.029 . . . . 0.0 112.144 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.4 mt -144.94 142.51 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.315 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -137.96 117.89 13.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.568 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -139.51 143.66 14.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.949 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.419 ' CD2' ' HG ' ' A' ' 70' ' ' LEU . 76.5 m-85 -93.87 131.08 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.745 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -113.62 134.13 11.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.408 ' NE1' ' CD2' ' A' ' 68' ' ' HIS . 12.9 m95 -122.21 111.85 17.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.829 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -135.31 158.87 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.2 m -109.46 124.89 51.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.0 p -81.5 131.93 35.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -132.94 120.65 21.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.78 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.37 137.04 21.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.95 -171.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.496 2.13 . . . . 0.0 112.299 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mp -82.8 -31.39 28.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.03 -27.08 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 t0 64.14 81.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -132.17 -176.95 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -57.52 -30.78 65.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.79 98.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -104.75 150.24 24.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 mp -146.02 119.96 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -134.37 175.26 20.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.428 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 tt -160.59 152.21 19.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.68 -148.01 9.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.416 ' CD2' ' HA ' ' A' ' 128' ' ' PRO . 24.5 m-85 -139.0 171.0 14.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.341 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.9 t -138.84 114.54 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.42 116.72 23.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -148.82 -175.88 21.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.527 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.0 m -120.12 152.55 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.4 m -118.8 146.74 44.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -105.15 147.39 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.2 147.88 51.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.806 ' H ' ' HE2' ' A' ' 83' ' ' GLU . 1.2 m-20 64.01 -79.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -176.05 66.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.809 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.9 m95 59.41 92.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -101.89 25.54 8.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 55.8 30.7 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.9 pt -152.57 92.95 3.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.3 158.16 48.93 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.454 2.103 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 tt -113.85 89.03 15.21 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.802 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.13 135.91 38.92 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.463 2.109 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.8 m -150.01 124.76 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.0 tt -112.89 126.6 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.5 mp -146.19 152.76 47.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.416 ' HA ' ' CD2' ' A' ' 108' ' ' PHE . 51.0 Cg_endo -69.24 148.47 68.54 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.554 2.169 . . . . 0.0 112.294 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.94 130.0 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -100.18 167.12 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.8 t -142.74 136.02 28.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.4 m -145.01 115.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.03 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.07 144.31 17.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.551 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -153.72 111.89 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.2 -134.18 52.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.094 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -88.62 27.79 0.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.717 2.278 . . . . 0.0 112.866 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 5.9 m -142.08 148.36 20.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.936 0.398 . . . . 0.0 111.341 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.09 118.2 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.765 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -95.47 144.1 26.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -143.04 119.2 10.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.9 mtp -98.88 145.4 27.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 25.5 m -131.03 122.73 27.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -101.82 136.37 41.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.6 mt -127.45 91.97 44.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.98 167.44 24.72 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.521 2.147 . . . . 0.0 112.346 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -144.01 -99.18 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.0 t -99.1 -32.31 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.347 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.22 160.18 17.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -84.56 -31.69 24.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -65.05 -25.1 67.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.038 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 132.22 -174.8 20.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -136.94 -65.42 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.55 126.83 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -107.23 133.61 51.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -128.74 138.01 51.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -106.13 140.69 38.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -133.26 122.49 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -87.27 154.67 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.402 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 27.5 ttt-85 -135.21 144.63 47.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -139.88 143.08 36.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.06 111.32 22.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -123.63 164.99 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.03 142.65 46.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.94 117.77 9.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.13 166.0 30.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.06 29.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -96.84 153.0 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.28 81.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -77.24 178.71 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 5.0 t60 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.931 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 mmm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.811 0.338 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -123.42 -40.66 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.1 -56.12 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -75.14 -28.75 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.698 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -68.16 -31.09 70.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.63 -30.83 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.8 mmt -74.63 -31.1 61.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.6 p -73.65 -51.62 16.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 t -59.68 -31.25 69.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -34.05 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -31.25 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -73.06 -31.16 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -72.53 -54.9 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 pt -59.79 -30.73 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.47 -41.95 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -63.19 -48.43 78.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -61.9 -30.97 71.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -80.52 -30.26 37.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -77.78 -66.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -85.16 112.67 45.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.42 -63.47 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.377 2.051 . . . . 0.0 112.269 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 58.58 100.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.41 144.99 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -71.01 125.74 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.785 ' HD2' ' HG ' ' A' ' 59' ' ' SER . 80.6 m-20 -100.93 114.05 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tp -99.98 138.49 36.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -137.12 124.87 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 tp -156.0 133.28 6.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.76 146.04 47.49 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.453 2.102 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.73 -49.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.59 137.72 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.4 m -154.61 110.44 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.24 142.64 28.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -115.39 125.34 53.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.02 44.84 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.71 -52.05 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 60.66 31.06 20.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.33 -178.77 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -64.59 83.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -76.3 165.91 24.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.82 82.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -165.96 32.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -114.16 30.01 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.23 -38.28 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 62.06 78.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.7 mtt85 -99.46 -31.61 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -155.33 162.88 40.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -84.65 133.71 34.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.93 158.91 42.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -116.3 82.43 11.76 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.17 162.03 43.45 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.502 2.135 . . . . 0.0 112.261 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.7 m0 63.29 142.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.59 -175.46 47.2 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.532 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.29 176.7 41.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.04 -149.74 13.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -136.06 173.99 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.39 -158.93 12.13 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.495 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.5 mt -141.03 164.79 29.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.785 ' HG ' ' HD2' ' A' ' 25' ' ' ASP . 63.1 p -163.01 163.26 26.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -144.22 -175.94 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -127.76 128.25 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.39 146.54 28.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -53.01 -22.62 5.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.493 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -90.89 35.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.753 0.311 . . . . 0.0 111.223 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.08 49.53 58.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.682 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -122.04 161.0 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -132.2 109.49 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 90' ' ' TRP . 0.2 OUTLIER -126.89 136.88 52.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.82 149.33 14.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.634 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.425 HD22 ' CE1' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -81.92 164.77 21.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.738 0.304 . . . . 0.0 110.813 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 5.8 m-85 -138.46 118.87 13.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.797 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.7 114.58 27.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.6 mtp -127.72 169.34 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -147.1 131.66 17.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -108.08 137.96 45.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.81 125.82 35.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -87.43 174.88 8.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.2 p -65.88 -30.9 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -72.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 179.55 -38.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -56.54 126.34 26.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -102.08 155.0 18.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.758 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -114.18 121.22 36.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.43 153.21 60.98 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.429 2.086 . . . . 0.0 112.181 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mt -137.33 120.01 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.282 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -124.42 117.86 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.66 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.7 141.33 9.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.914 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.425 ' CE1' HD22 ' A' ' 70' ' ' LEU . 23.0 m-85 -91.94 125.42 36.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 110.682 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.04 133.09 11.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 68' ' ' HIS . 18.8 m-90 -113.85 115.61 28.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.749 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -138.16 155.34 48.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.98 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 m -117.24 108.31 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.2 m -75.83 137.68 40.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -118.33 143.99 46.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.83 112.01 30.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -51.59 -178.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.436 2.09 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -29.74 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.49 -29.69 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.11 88.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -146.68 176.05 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -60.05 -36.7 77.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.86 127.22 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.55 156.02 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.54 128.39 18.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.24 175.78 21.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.51 145.58 51.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.46 175.91 46.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.562 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 128' ' ' PRO . 7.6 m-85 -119.87 169.76 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.356 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 73.5 m -134.54 108.95 8.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.67 122.97 48.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.33 -164.2 10.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.2 t -149.92 142.81 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.067 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.6 m -101.06 119.31 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.65 141.03 39.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.2 144.79 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -141.2 61.09 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -152.8 -55.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -68.66 -66.86 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -176.0 36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 58.53 64.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.8 mt -115.95 92.92 36.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.74 159.85 6.35 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.533 2.155 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 tp -138.99 94.08 10.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.21 144.69 63.73 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.487 2.125 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.7 t -147.37 141.62 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.23 142.05 48.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 mp -147.98 117.03 4.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.42 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 64.6 Cg_endo -73.45 146.97 40.44 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.488 2.125 . . . . 0.0 112.343 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.4 pp -164.55 167.88 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -130.73 139.0 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 m -94.36 116.65 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.8 p -144.96 128.81 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.064 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.14 -155.21 11.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.547 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -144.77 112.02 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.974 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.59 -117.14 10.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.703 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.11 -17.57 27.98 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.483 2.122 . . . . 0.0 112.652 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.1 t -86.04 117.94 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 0.0 111.096 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.9 m -124.95 108.94 12.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -105.42 117.79 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.54 123.24 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 16.3 mtt -106.08 130.31 54.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.89 151.72 26.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -108.11 138.33 44.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.9 mt -120.96 91.96 48.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.4 126.02 13.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.49 2.127 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -129.87 -87.47 0.48 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.608 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.1 t -112.97 -45.44 3.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -60.13 168.48 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.08 -30.64 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -101.33 27.03 6.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.66 149.47 25.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.436 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -130.24 -51.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.3 t -120.18 131.99 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -108.64 144.83 35.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.99 137.41 53.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -118.21 143.65 46.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -140.47 123.36 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 8.5 mtm -90.91 130.67 36.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -126.09 133.98 51.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -134.54 146.99 50.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 134.14 45.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.62 125.14 45.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.6 137.1 37.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -31.9 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -153.19 137.32 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -115.18 170.98 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -108.32 35.54 3.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.64 35.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -158.01 -60.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.947 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.882 0.373 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -62.95 163.37 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.31 -56.11 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.03 -28.95 57.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.629 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -69.03 -31.2 69.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -66.39 -31.2 71.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.0 mtm -78.31 -33.14 49.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -64.26 -47.27 80.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -42.88 99.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.67 -31.44 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.73 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.95 -37.27 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.76 -42.69 97.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.64 -34.49 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.15 73.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -76.76 -45.89 27.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -30.5 70.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.75 -34.2 66.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -85.22 -66.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -131.69 97.19 19.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.85 -168.07 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.41 2.073 . . . . 0.0 112.339 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.9 -75.94 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.21 167.44 20.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -122.22 114.66 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -112.19 167.17 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.9 128.33 52.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -105.63 124.56 49.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.0 mp -141.63 136.09 15.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.76 116.41 3.94 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.425 2.084 . . . . 0.0 112.282 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.76 -76.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.0 pt -150.98 171.03 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 t -145.32 163.72 33.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.6 t90 -88.24 127.47 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -105.47 140.6 38.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.4 171.71 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -149.1 31.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -75.28 -67.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.09 -176.14 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 85.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -108.11 148.83 29.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -155.73 -75.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -166.15 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -143.77 -54.81 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 m -157.2 -52.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -125.68 -67.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -164.78 149.26 9.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.23 148.03 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -100.39 106.64 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -116.81 108.93 16.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -121.65 153.54 59.71 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.14 135.81 30.44 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.512 2.141 . . . . 0.0 112.284 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -76.23 175.59 8.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.07 -143.66 26.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.35 166.65 34.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.77 175.9 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -148.02 141.64 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.832 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.25 137.85 13.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.539 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.1 mp -151.41 150.97 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.697 0.284 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.0 m -167.98 173.31 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.54 165.9 35.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -101.75 128.6 48.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -94.68 136.97 34.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.91 -22.85 6.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.542 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.57 35.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.696 0.284 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 53.21 43.8 64.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.685 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -122.04 161.09 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 111.031 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -124.37 94.42 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.79 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -70.57 124.81 25.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.88 120.59 6.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 1.3 tp -117.99 151.68 36.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.643 0.259 . . . . 0.0 110.808 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -137.92 165.05 27.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.02 109.95 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 mtp -126.99 177.08 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.2 130.89 4.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -123.24 151.6 42.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -130.94 131.11 44.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.81 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.89 -168.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.5 m -82.56 -34.95 27.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -100.24 37.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.25 105.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HD3' ' HD2' ' A' ' 116' ' ' ASP . 5.5 tttt -158.77 86.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -74.44 126.05 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -130.35 98.79 20.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.967 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.07 159.87 26.89 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.563 2.176 . . . . 0.0 112.324 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.0 tt -164.08 136.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.221 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.06 148.87 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.76 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -103.83 157.23 17.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.418 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 110' ' ' ALA . 31.1 p90 -157.19 110.01 2.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.47 -162.98 12.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.559 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 18.1 m-90 -123.69 145.64 48.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -146.84 150.39 35.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.7 p -115.98 99.93 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.3 p -94.98 125.72 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -125.0 143.71 50.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -131.87 138.98 33.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.76 158.48 43.08 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.432 2.088 . . . . 0.0 112.298 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mp -83.11 -31.24 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.96 -30.59 70.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.77 143.28 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -110.52 -30.61 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -31.55 67.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -82.44 133.87 35.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -137.43 138.74 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.4 mp -132.12 163.26 28.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.83 152.55 13.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mt -150.63 141.25 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.54 -176.21 44.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 128' ' ' PRO . 7.2 m-85 -114.93 157.23 23.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.8 p -139.35 142.57 37.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 88' ' ' TYR . . . -113.69 114.07 25.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.22 125.09 8.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.4 118.43 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.153 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.8 t -99.57 139.4 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.14 125.23 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.84 171.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.413 ' HD2' ' HD3' ' A' ' 81' ' ' LYS . 1.7 m-20 -85.07 -29.55 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.998 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -88.29 -168.55 2.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -119.02 74.19 0.97 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -115.71 -9.62 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.347 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 65.03 28.75 12.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.798 0.332 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.7 pt -112.85 92.91 22.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.72 156.85 56.69 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.532 2.155 . . . . 0.0 112.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.8 mt -109.49 87.47 5.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.64 148.75 37.5 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.617 2.211 . . . . 0.0 112.394 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.03 115.91 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.96 132.13 43.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 43.0 mt -149.82 131.69 7.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.415 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 72.6 Cg_endo -76.65 126.1 8.68 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.53 2.153 . . . . 0.0 112.251 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 pp -142.13 155.62 45.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -109.27 166.64 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.3 p -129.93 131.73 46.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 16.4 m -141.23 116.06 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -108.37 158.19 14.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -155.36 112.0 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.724 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 61.61 -134.34 47.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.271 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -87.37 27.42 0.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.739 2.292 . . . . 0.0 112.746 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.03 149.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.176 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 26.5 m -124.93 145.05 50.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -127.91 141.75 51.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -132.72 144.0 49.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.0 tpp -140.76 137.48 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 14.2 m -124.08 119.19 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -127.37 162.08 27.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -135.91 91.99 16.97 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.65 145.63 64.33 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.599 2.199 . . . . 0.0 112.298 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 161.13 156.45 8.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 50.1 p -99.33 42.58 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.6 -177.98 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.03 -21.03 21.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -95.38 27.06 3.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.155 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -139.81 -157.61 7.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.32 60.09 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.0 m -151.68 137.72 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -129.14 127.46 41.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.42 ' HB3' ' CZ3' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -108.59 130.0 55.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.1 153.59 19.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.42 ' CZ3' ' HB3' ' A' ' 155' ' ' PHE . 0.0 OUTLIER -153.7 150.3 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -117.59 145.62 44.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -129.15 125.26 36.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.83 140.46 32.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.66 108.06 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -139.01 153.44 48.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.8 pp -130.19 129.47 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -94.35 179.19 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -109.11 -44.23 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -140.98 150.74 43.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -94.22 -60.63 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -63.52 111.05 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -91.91 116.13 28.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.854 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.841 0.353 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -108.51 34.82 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.14 -56.19 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -75.95 -28.9 58.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.673 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.08 -39.82 83.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -63.4 -34.31 77.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mmt -69.46 -31.77 70.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -64.89 -42.31 94.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.2 -38.35 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -42.08 70.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -59.48 -40.67 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -64.24 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -75.09 -57.03 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 pt -60.8 -29.8 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.85 -50.66 61.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -59.08 -32.3 69.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.8 m -71.22 -30.56 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -56.39 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.2 -38.42 86.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.17 143.52 45.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -73.53 -35.7 4.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.51 2.14 . . . . 0.0 112.32 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 61.19 77.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -158.78 126.74 5.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -100.12 109.41 21.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -92.83 147.21 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.437 ' CD1' ' CE2' ' A' ' 56' ' ' PHE . 2.6 mp -102.16 158.42 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -138.27 132.16 31.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.9 tt -155.65 138.98 10.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.48 153.12 14.42 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.457 2.105 . . . . 0.0 112.284 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.32 -67.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 mp -140.26 138.98 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 m -133.7 154.28 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -147.5 153.42 39.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -111.68 117.54 33.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.16 90.94 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mtp-105 -155.08 30.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 59.21 36.16 23.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.7 153.47 22.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.62 83.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -125.0 110.79 14.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.56 -68.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -157.29 29.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -116.85 -37.36 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m 63.1 90.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -65.39 -25.54 67.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.44 -172.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 t80 61.38 31.66 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -101.37 167.08 10.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -93.23 156.17 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -128.33 105.13 19.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.07 158.53 2.24 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.436 2.09 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -167.56 115.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.29 174.54 29.15 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.36 -172.78 38.47 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.82 -170.27 43.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE2' ' CD1' ' A' ' 26' ' ' LEU . 6.1 m-85 -114.94 174.03 6.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.749 0.309 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.46 162.7 30.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -136.29 131.81 34.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -105.48 169.03 8.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.5 137.67 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -99.97 124.1 44.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -87.59 143.16 27.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.15 -23.09 12.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.395 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -93.31 35.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.62 51.9 53.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.656 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.36 158.77 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -136.58 96.04 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.418 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 2.8 p80 -134.02 152.03 51.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.37 174.93 46.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.57 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.17 162.07 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.668 0.271 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.426 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 16.9 p90 -146.01 118.92 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.822 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.58 114.68 27.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.279 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -102.66 175.23 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.646 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.61 130.5 13.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -116.39 116.1 27.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -82.96 131.88 35.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -115.4 134.58 54.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 79' ' ' TRP . 0.6 OUTLIER -59.28 -20.77 57.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.419 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 27.1 m-90 -128.27 -44.83 1.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.622 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.67 -161.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.649 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.57 179.71 4.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -60.16 124.2 19.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -104.54 99.07 16.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -74.4 148.19 37.87 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.555 2.17 . . . . 0.0 112.286 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.9 mt -149.23 124.76 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.52 117.85 31.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.426 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -119.49 135.83 11.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.367 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' A' ' 68' ' ' HIS . 8.9 t80 -110.03 113.69 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.988 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.47 143.34 15.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.568 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 90' ' ' TRP . 41.2 p90 -120.01 120.97 37.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -135.36 167.87 20.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.6 t -103.85 129.87 51.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.429 ' CG2' ' CE1' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -98.54 130.08 45.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.988 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -136.16 146.23 46.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -124.93 148.59 60.33 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.09 -168.02 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.59 2.194 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.85 -34.09 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.04 -51.99 11.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -100.79 162.64 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -123.39 -38.1 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -62.34 -46.08 90.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -59.36 120.31 9.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.429 ' CE1' ' CG2' ' A' ' 93' ' ' THR . 0.3 OUTLIER -130.4 131.01 45.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.68 138.71 52.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.74 161.53 28.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.539 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mp -142.79 151.2 40.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.51 -161.8 28.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.1 141.2 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.6 p -109.99 120.88 43.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.56 127.44 19.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -160.41 -147.98 5.1 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 m -135.33 148.23 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 111.24 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.7 m -113.05 137.45 51.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.31 179.26 7.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.01 171.06 20.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -140.06 38.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.812 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -131.09 -48.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -81.02 -76.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -177.3 -66.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -159.85 30.76 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.1 mt -76.42 114.14 35.44 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.16 147.17 78.59 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.38 2.054 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.52 91.67 17.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.3 133.41 42.25 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.54 2.16 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.4 m -139.36 152.03 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.88 114.31 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 128' ' ' PRO . 0.3 OUTLIER -150.02 150.13 29.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 14.5 Cg_exo -68.77 139.14 43.0 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.66 2.24 . . . . 0.0 112.2 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 9.2 tt -150.15 140.83 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.22 137.53 42.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.9 p -109.32 120.72 43.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 12.2 p -144.98 131.75 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.36 -141.84 3.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -164.25 122.59 1.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.337 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.47 -130.38 23.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.373 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.54 2.78 8.08 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.495 2.13 . . . . 0.0 112.93 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.6 t -109.24 109.81 29.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.8 0.333 . . . . 0.0 111.205 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 29.1 p -125.03 108.95 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -84.93 125.94 33.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -121.24 113.92 20.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 39.5 mtm -117.28 151.44 36.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.5 t -129.49 141.59 50.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -116.08 108.41 16.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.3 tp -92.28 134.27 28.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.91 168.12 24.78 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.451 2.1 . . . . 0.0 112.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 161.16 92.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 m 60.51 36.71 19.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -172.38 155.68 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -89.8 -35.68 15.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -75.85 -25.06 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 136.28 168.11 11.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -115.08 -66.13 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.47 154.02 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -125.56 139.04 53.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -132.96 136.23 45.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -119.51 137.86 53.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -138.06 137.12 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.6 ttp -97.88 134.32 41.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -124.77 135.1 52.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.24 147.06 31.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -100.69 116.55 32.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.69 130.43 54.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.99 148.4 22.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -134.16 85.91 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -174.55 127.56 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -70.29 140.98 52.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -94.17 126.43 39.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 45.0 t60 60.51 110.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -102.41 -48.25 4.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.774 0.321 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -135.63 72.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.21 -55.98 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -76.19 -28.84 57.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.558 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -38.01 89.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -68.6 -35.67 77.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 ttt -70.57 -31.52 68.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -66.15 -41.28 90.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.8 t -74.17 -39.08 63.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.68 -44.3 82.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -50.17 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.69 -31.83 72.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -45.71 69.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.5 mt -72.42 -31.45 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -32.19 72.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.71 -42.93 32.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.5 p -59.84 -52.54 65.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -60.58 -33.49 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -60.93 -32.19 71.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -107.57 79.48 0.81 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.409 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 56.9 Cg_endo -70.68 136.64 31.02 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.582 2.188 . . . . 0.0 112.311 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.21 -66.62 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -98.15 118.35 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.409 ' CE2' ' HG2' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -88.2 115.31 25.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -116.64 154.86 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.44 146.46 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -138.98 118.98 13.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.8 pt -155.93 158.54 31.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HA ' ' CE3' ' A' ' 157' ' ' TRP . 54.2 Cg_exo -51.9 165.62 0.78 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.595 2.197 . . . . 0.0 112.356 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.69 -67.0 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tt -166.08 145.19 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.3 p -144.54 171.44 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -86.01 140.49 30.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 40' ' ' ASP . 8.3 p-80 -88.07 115.73 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -175.24 96.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -126.96 -58.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -164.12 -43.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.85 149.98 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' A' ' 39' ' ' TYR . 18.4 p90 -61.63 84.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 34' ' ' HIS . 5.6 t70 -98.24 145.41 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.67 -40.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.37 42.26 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.806 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 61.13 30.95 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -99.26 35.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -80.33 178.2 8.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 31.52 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -166.34 159.63 15.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -118.03 114.41 23.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.51 137.21 54.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -130.47 79.93 71.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.02 145.26 44.44 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.574 2.183 . . . . 0.0 112.291 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -147.92 159.59 43.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.95 143.49 3.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.48 -162.43 32.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.24 -149.5 9.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -108.89 160.85 15.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.13 177.42 16.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 mp -138.58 175.05 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.365 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.3 p -153.67 146.29 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -132.93 121.5 22.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -99.95 113.75 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.65 144.88 26.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -57.8 -18.95 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.464 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -89.87 35.08 0.84 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.623 0.249 . . . . 0.0 111.232 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.59 47.1 86.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.714 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -122.04 151.86 40.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -137.7 92.06 2.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.75 155.31 40.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.21 124.26 4.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.637 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 1.0 OUTLIER -111.31 146.89 36.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.574 0.226 . . . . 0.0 110.641 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 22.8 m-85 -126.91 118.8 25.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.24 110.01 15.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -142.81 178.03 7.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.238 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.61 129.96 23.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.982 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -118.05 152.84 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.27 142.28 36.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.2 175.32 5.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -75.48 -15.83 60.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -92.72 17.69 9.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.31 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 55.52 85.2 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.324 . . . . 0.0 111.036 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.3 170.4 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 17.7 m-90 -115.38 114.97 25.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.05 98.92 12.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.78 151.47 78.66 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.453 2.102 . . . . 0.0 112.338 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.467 HG21 HD11 ' A' ' 85' ' ' ILE . 22.8 mm -122.08 138.57 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.033 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -137.87 117.76 13.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -113.33 152.86 17.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.311 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -157.16 112.34 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.63 -173.12 19.82 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -105.01 140.1 38.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.766 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -144.38 133.95 23.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.23 140.79 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.7 m -99.58 138.64 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -146.01 121.59 10.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -132.19 141.79 42.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.08 -176.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.419 2.079 . . . . 0.0 112.333 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.02 -40.17 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.59 -31.93 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -133.76 162.19 32.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -124.89 23.63 7.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.14 -50.97 5.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -61.6 98.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -83.02 140.29 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.52 140.88 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.26 143.71 7.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.9 mp -140.77 150.29 43.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.81 -168.29 41.38 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 128' ' ' PRO . 6.1 m-85 -125.31 145.85 49.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.785 0.326 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.1 p -114.32 136.9 52.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.97 114.59 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -145.39 -149.4 5.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.8 m -148.06 162.52 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 t -127.61 160.75 30.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.91 136.21 53.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -93.35 170.05 9.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.84 -34.39 78.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -40.83 34.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 60.64 32.66 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.38 -68.18 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -169.8 34.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.0 mt -127.92 92.88 41.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.82 163.03 40.56 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.498 2.132 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 mt -112.85 90.08 14.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -50.1 140.95 31.6 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.584 2.19 . . . . 0.0 112.436 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 31.6 m -149.83 121.07 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.04 123.29 40.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 mp -148.42 129.55 7.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.413 ' HB3' ' CD2' ' A' ' 108' ' ' PHE . 72.0 Cg_endo -74.66 150.21 39.57 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.506 2.138 . . . . 0.0 112.323 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.3 pp -165.55 173.65 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.02 166.3 27.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.9 t -127.49 123.43 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.0 m -145.05 127.17 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.98 -148.59 6.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -170.98 128.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.09 -131.79 28.02 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.523 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -83.3 9.32 4.15 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.705 2.27 . . . . 0.0 113.281 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 m -122.46 106.6 18.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.9 0.381 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.0 m -118.36 117.15 28.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.76 142.71 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -129.57 142.68 50.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.01 146.87 50.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 11.1 m -138.34 146.47 42.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -109.01 149.13 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.2 91.95 37.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.0 139.83 40.31 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.526 2.151 . . . . 0.0 112.297 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 173.23 136.65 2.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.1 m -86.2 79.87 8.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.75 168.31 12.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.59 -44.93 95.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -77.3 -25.11 50.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -67.51 170.67 34.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 59.79 73.78 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.01 158.8 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.36 117.12 28.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -107.67 134.78 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -111.78 143.65 42.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 29' ' ' PRO . 42.7 m95 -137.61 144.17 41.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 12.9 mtp -89.0 136.59 32.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 17.0 ttp85 -128.76 143.71 50.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . 0.493 ' CD1' ' CE2' ' A' ' 162' ' ' PHE . 0.7 OUTLIER -122.36 146.55 47.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -114.29 126.07 54.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 160' ' ' PHE . 16.9 m-85 -135.32 115.04 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.4 mp -108.8 148.5 30.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.67 -37.39 87.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -60.74 148.73 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 60.72 171.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -160.96 38.61 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 126.28 26.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 58.93 -174.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.801 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttm . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.765 0.317 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.35 24.12 8.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.27 -56.22 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.761 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -76.07 -28.92 57.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.695 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.0 -30.93 64.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -31.68 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.9 ttt -72.92 -32.25 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 m -60.69 -49.86 75.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.5 p -70.54 -39.55 73.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -61.61 -40.58 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -62.58 -47.45 83.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.06 -32.16 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -72.75 -57.07 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pp -61.8 -32.11 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.199 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.25 -30.76 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -36.07 70.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p -78.6 -37.84 41.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -39.41 79.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -83.08 -56.07 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -95.11 102.9 10.37 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.84 -21.32 44.48 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.408 2.072 . . . . 0.0 112.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 64.56 109.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.893 0.377 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' CG ' HD13 ' A' ' 163' ' ' LEU . 1.2 t-80 -149.71 117.98 6.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -90.55 115.6 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.23 148.21 47.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -111.95 124.72 53.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -101.28 118.74 37.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.5 mp -142.9 135.96 13.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.09 150.54 77.44 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.448 2.099 . . . . 0.0 112.296 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.06 -75.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.9 mm -112.23 140.49 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.7 p -154.48 133.35 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -94.33 140.17 30.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -87.46 150.03 24.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -161.12 38.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -118.24 -45.6 2.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 59.56 24.85 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.04 -169.94 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -72.23 84.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.86 125.98 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt 60.1 92.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.47 32.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -104.83 -33.89 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -169.56 97.09 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.57 32.52 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -128.41 -55.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -93.34 117.76 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.737 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -116.43 147.36 41.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -104.25 166.04 10.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -79.6 136.47 55.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.78 120.55 8.06 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.458 2.105 . . . . 0.0 112.246 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -169.43 34.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.06 141.19 15.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.09 -172.79 23.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.75 -152.9 8.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.586 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -130.92 173.96 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 111.008 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.63 169.56 24.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.84 155.67 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.344 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.69 160.0 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -141.62 159.3 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 24.9 p-90 -121.61 125.95 47.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.05 140.34 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.07 -18.19 45.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.358 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -91.86 35.13 0.97 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.665 0.269 . . . . 0.0 111.215 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.27 44.04 96.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.588 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -122.0 161.01 23.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -137.92 93.24 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.03 148.65 48.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.25 125.01 2.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 tp -111.12 151.2 28.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.677 0.275 . . . . 0.0 110.799 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.404 ' CD2' ' HA3' ' A' ' 87' ' ' GLY . 21.1 m-85 -121.39 155.61 34.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.32 109.99 4.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 mmm -133.89 144.36 48.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -138.38 136.88 36.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.67 124.06 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.43 120.9 39.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -167.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -87.16 -32.99 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.8 p-90 -162.75 31.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -108.66 -80.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 178.15 -173.59 0.14 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.809 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -89.6 134.09 34.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.55 98.85 15.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.21 160.07 29.72 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.626 2.217 . . . . 0.0 112.492 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.432 HD13 HG22 ' A' ' 85' ' ' ILE . 22.5 mt -149.25 133.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.15 119.96 15.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA3' ' CD2' ' A' ' 71' ' ' TYR . . . -103.74 155.96 17.7 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.674 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -157.24 109.99 2.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.747 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.15 178.78 23.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.619 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -122.41 122.12 38.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -129.44 167.87 17.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -123.31 116.13 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.5 m -90.74 127.59 36.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -125.83 129.83 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -105.7 126.0 31.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.429 ' CG ' ' CE2' ' A' ' 102' ' ' PHE . 50.9 Cg_exo -53.95 177.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.452 2.102 . . . . 0.0 112.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 mp -111.0 -39.55 4.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.75 74.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.4 122.33 12.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -96.38 41.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.07 -31.37 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.429 ' CE2' ' CG ' ' A' ' 96' ' ' PRO . 32.4 p90 -112.5 140.81 46.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.981 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -109.81 148.49 31.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mt -123.69 144.17 49.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.41 140.88 8.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.39 134.56 25.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.29 -174.36 42.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -103.11 157.42 17.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 110.798 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.0 p -135.06 117.1 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.81 114.0 21.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.787 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -130.47 -172.23 13.09 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.768 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.2 m -129.28 125.35 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.83 126.05 52.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -89.07 116.95 27.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.09 170.73 17.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.39 117.4 17.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -127.55 -61.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -154.24 -49.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -132.84 36.95 3.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 60.28 38.7 19.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.451 HG21 HD13 ' A' ' 121' ' ' ILE . 28.7 mm -102.95 104.28 38.79 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.08 163.0 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.472 2.115 . . . . 0.0 112.396 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 pp -126.06 120.81 23.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.43 162.45 12.27 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.444 2.096 . . . . 0.0 112.222 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.04 115.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.45 114.74 23.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -150.03 159.23 35.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -68.8 142.69 53.13 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.724 2.282 . . . . 0.0 112.175 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.4 tt -149.97 153.81 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -139.91 139.94 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 p -112.24 114.02 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 15.4 m -141.33 139.91 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -169.57 -153.34 8.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.695 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 102' ' ' PHE . 35.0 m-85 -142.54 111.89 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.93 -121.26 11.69 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.779 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -84.39 -0.51 9.45 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.743 2.296 . . . . 0.0 113.465 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.2 m -110.15 112.37 40.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.851 0.358 . . . . 0.0 111.245 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.5 t -118.56 137.3 53.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -114.16 135.98 53.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.1 134.22 47.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.14 129.95 48.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -117.03 141.94 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -123.74 115.84 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.51 93.74 4.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.045 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.66 139.75 45.12 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.48 2.12 . . . . 0.0 112.368 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -164.69 86.94 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.8 m 61.78 35.75 16.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -142.8 170.45 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -97.37 -43.43 7.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -97.81 27.03 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.98 173.43 49.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.549 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -95.9 -60.55 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.32 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.5 m -132.32 159.68 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.64 146.83 47.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.812 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -137.22 121.33 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -110.52 150.51 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -145.01 171.37 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 36.0 mtm -123.43 134.05 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -133.93 122.47 23.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -93.01 125.61 37.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -94.25 123.16 37.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -138.75 117.07 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.404 HD13 ' CG ' ' A' ' 23' ' ' HIS . 1.0 OUTLIER -148.04 119.61 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -124.23 91.01 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -74.22 -32.16 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -85.63 85.73 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.72 134.12 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.71 146.71 29.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 42.9 m80 60.81 99.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.937 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.842 0.353 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -78.79 76.63 5.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.21 -56.03 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.11 -28.79 60.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.661 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.2 -29.15 63.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m0 -75.08 -53.59 8.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -30.13 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.8 m -60.54 -55.91 27.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.785 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.3 p -60.71 -44.62 96.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.35 -41.2 96.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -70.75 -31.26 68.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.67 -30.47 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -78.4 -43.24 27.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.1 mt -71.42 -46.15 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.17 98.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -61.73 -46.51 89.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -70.69 -30.67 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.14 -39.69 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -71.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.997 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -69.45 148.04 97.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.07 -167.67 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.556 2.171 . . . . 0.0 112.35 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -166.14 35.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -109.04 123.36 49.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.405 ' CD2' HD13 ' A' ' 26' ' ' LEU . 23.2 t80 -118.49 107.15 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -114.87 132.62 56.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD13 ' CD2' ' A' ' 24' ' ' TYR . 5.3 mp -101.62 126.31 48.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' CD1' ' OH ' ' A' ' 71' ' ' TYR . 41.2 t80 -100.56 128.17 46.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.2 pt -156.07 156.42 30.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.21 166.89 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.531 2.154 . . . . 0.0 112.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.19 -73.8 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -144.3 151.1 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.8 m -155.99 127.92 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.64 128.18 46.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -104.75 143.88 32.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.25 106.66 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.49 -57.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.768 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 60.29 48.53 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.13 161.05 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -73.61 83.96 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -86.53 154.43 21.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -48.48 52.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.7 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.9 31.71 21.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.31 -47.18 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.61 109.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.16 167.35 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -96.64 -64.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -107.83 138.61 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -141.88 106.45 4.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.83 89.08 21.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.75 150.43 68.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.52 2.147 . . . . 0.0 112.284 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 119.5 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.92 119.85 0.74 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.566 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.07 -179.72 43.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.13 -143.99 7.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -140.93 174.06 10.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.3 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.95 135.41 4.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.608 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tp -107.54 137.18 46.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.787 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.44 139.18 52.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -110.52 159.68 17.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -99.97 124.24 45.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.037 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.36 136.92 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.709 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.75 -24.06 8.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.392 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.45 33.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.853 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.91 48.37 73.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.99 161.23 23.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.358 . . . . 0.0 111.2 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.51 92.75 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -120.69 140.01 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.27 -170.81 35.81 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.394 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.37 165.23 12.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -135.9 118.84 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.664 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.87 129.07 49.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.237 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.63 122.26 9.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.23 130.02 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -108.06 111.03 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.744 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -98.65 141.1 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.88 162.56 13.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -62.13 -19.41 62.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -144.92 -43.79 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -170.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -96.62 -174.44 3.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 14.5 p-90 -108.39 142.33 38.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.46 109.65 48.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.1 160.05 40.3 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.483 2.122 . . . . 0.0 112.236 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.5 mt -145.57 135.18 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.249 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.08 117.83 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.672 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.16 169.08 26.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.884 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -95.9 118.04 31.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.29 113.43 4.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.638 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -104.3 111.96 24.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.789 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -119.09 130.76 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.022 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -108.2 104.78 14.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.06 137.47 45.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.02 137.55 24.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.83 133.64 25.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -57.04 -162.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.509 2.139 . . . . 0.0 112.164 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.3 tp -85.52 -30.24 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.83 -29.82 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.193 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.7 t0 62.67 119.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -170.97 -176.88 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.412 ' HB2' ' CE1' ' A' ' 134' ' ' TYR . 2.1 m-80 -71.11 -23.99 62.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -53.69 107.7 0.28 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -98.06 120.26 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.78 133.5 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.81 -156.8 11.84 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.575 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 tt -108.51 155.15 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.65 130.74 3.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -128.11 128.15 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 48.6 p -105.9 108.97 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.6 123.34 24.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.7 -160.4 23.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.3 m -114.5 150.68 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 111.203 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.3 p -124.03 141.53 51.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.93 116.99 22.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -138.34 163.08 32.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.09 80.29 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -148.77 155.38 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 67.44 -69.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.28 -61.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -164.69 31.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 pp -96.76 146.69 31.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.9 162.97 39.68 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.619 2.213 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.47 89.44 49.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.2 140.92 32.44 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.609 2.206 . . . . 0.0 112.405 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 30.7 m -137.62 147.87 26.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 mp -146.29 115.5 7.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.7 mt -135.82 117.0 11.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 73.4 Cg_endo -75.11 148.55 35.02 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.459 2.106 . . . . 0.0 112.342 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.37 172.62 16.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.03 141.67 51.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m -94.63 122.33 37.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.419 ' HB ' ' CE2' ' A' ' 139' ' ' PHE . 21.6 t -144.91 132.89 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -178.64 -160.96 25.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.43 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 101' ' ' ASN . 63.1 t80 -161.66 111.87 1.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.69 -112.29 4.52 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.73 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -85.13 -19.38 3.83 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.774 2.316 . . . . 0.0 113.387 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 134' ' ' TYR . 14.8 p -90.32 114.79 28.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 111.348 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.14 118.36 25.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.419 ' CE2' ' HB ' ' A' ' 132' ' ' VAL . 55.1 p90 -128.15 133.07 48.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -126.44 143.28 51.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 5.3 mtt -112.66 135.4 53.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.3 t -120.59 139.46 52.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 128' ' ' PRO . 19.7 p90 -115.22 137.07 52.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.403 ' CG2' ' O ' ' A' ' 144' ' ' ILE . 2.3 tt -103.05 93.89 4.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.74 158.3 57.45 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.551 2.167 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -169.29 -43.03 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 6.2 p -132.09 -46.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.28 178.03 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -94.91 -31.52 13.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -99.55 27.2 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.89 171.58 11.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.556 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -109.26 -43.18 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.1 t -129.68 146.16 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -115.9 146.53 41.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -131.98 124.72 29.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.06 156.35 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -147.5 134.44 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.6 mtt -99.15 140.5 33.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -136.33 128.5 29.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.55 123.43 48.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -90.16 129.31 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.97 134.35 33.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.4 mp -131.52 139.84 49.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -77.6 163.11 26.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -165.9 179.42 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -129.69 127.89 41.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 61.2 155.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 61.05 53.89 3.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -63.41 98.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.879 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtm . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -101.79 71.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.25 -56.23 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.779 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -76.12 -28.94 57.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.709 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.65 -34.02 77.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -44.89 90.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.5 ttt -61.51 -32.25 72.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -60.84 -44.08 97.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.7 m -73.31 -32.9 64.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -76.04 -31.51 58.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -63.54 -48.03 79.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.81 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -66.25 -54.7 21.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 tp -60.19 -40.85 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.51 -32.93 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -71.13 -53.68 13.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -55.62 -27.8 51.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -30.6 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -95.66 16.33 17.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -94.22 103.5 10.94 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.05 -167.5 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.42 2.08 . . . . 0.0 112.23 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 61.84 113.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -140.08 168.03 20.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.402 ' OH ' ' CG ' ' A' ' 56' ' ' PHE . 12.1 t80 -81.75 109.53 16.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.47 134.59 34.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -119.68 112.07 18.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -99.22 124.78 44.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.3 tp -155.97 134.01 7.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.7 -179.04 3.02 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.428 2.085 . . . . 0.0 112.263 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.81 -62.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.99 133.99 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.218 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.7 t -156.05 154.28 30.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -143.05 154.63 44.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -116.19 124.25 49.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 62.0 -82.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.211 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -179.71 71.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.926 0.393 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.1 t80 59.14 72.42 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.01 145.67 26.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -63.52 84.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -83.08 152.76 25.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -99.16 33.88 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.89 31.4 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -110.89 -35.5 5.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.6 p -98.92 -31.52 11.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.06 85.47 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.5 125.84 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -162.77 -46.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -80.88 157.34 25.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -112.25 129.08 56.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -66.8 149.0 98.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 129.42 32.75 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.511 2.141 . . . . 0.0 112.351 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -104.28 145.64 29.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.402 ' HA3' ' CE1' ' A' ' 75' ' ' PHE . . . -157.05 178.28 33.52 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.438 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.88 176.04 35.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.425 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.73 -165.84 26.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.594 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.402 ' CG ' ' OH ' ' A' ' 24' ' ' TYR . 34.9 p90 -147.28 174.08 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.08 -167.86 34.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.39 155.46 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -123.55 148.64 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.95 142.62 36.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -107.77 167.95 9.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.045 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.62 139.63 51.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.745 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -52.82 -31.21 37.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -68.99 -18.65 64.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.95 46.92 0.92 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.04 161.04 23.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 111.11 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -137.97 105.38 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -131.61 140.1 49.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.998 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.33 -174.43 22.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.58 158.5 43.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.628 0.251 . . . . 0.0 110.788 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 46.0 p90 -157.09 118.75 3.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.31 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.74 117.57 30.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.5 mtm -111.91 134.4 53.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.69 139.61 49.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.402 ' CE1' ' HA3' ' A' ' 53' ' ' GLY . 1.2 m-85 -125.58 127.33 46.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -108.67 121.66 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -118.09 -170.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 m -60.16 -29.48 68.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -19.39 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 64.87 60.72 0.82 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.019 0.437 . . . . 0.0 110.766 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -162.08 103.01 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.731 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 30.6 p90 -57.57 128.34 36.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -103.37 98.93 13.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.25 145.49 24.25 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.52 2.147 . . . . 0.0 112.503 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 pp -152.74 119.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.09 117.85 34.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -105.21 135.78 12.77 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.141 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -104.33 109.93 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 111.05 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -96.47 108.93 3.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.384 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -113.84 112.3 23.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.815 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -147.45 166.4 27.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.53 143.36 27.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.1 p -99.06 142.72 30.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -146.1 132.96 20.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -110.38 124.86 32.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.31 -171.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.383 2.055 . . . . 0.0 112.28 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.1 mt -99.5 -54.35 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.36 -41.72 55.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.85 162.56 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.22 -50.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -69.38 -31.61 70.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.01 99.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -91.83 135.06 34.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.9 tp -133.31 148.07 51.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.49 163.59 37.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.8 mt -147.48 127.9 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -166.91 -157.79 10.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -131.86 151.4 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.5 p -121.67 116.54 24.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -138.4 127.35 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -136.32 -153.9 6.68 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.626 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.87 147.46 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.855 0.359 . . . . 0.0 111.211 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.2 m -102.7 160.17 14.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.24 -169.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.03 170.96 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.405 ' HB2' ' CZ3' ' A' ' 118' ' ' TRP . 25.0 m-20 -124.82 -55.87 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -167.0 33.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.405 ' CZ3' ' HB2' ' A' ' 116' ' ' ASP . 10.3 m-90 -103.28 -74.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -165.76 -69.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -176.79 37.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 pp -100.07 105.44 35.39 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.09 145.58 67.62 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.414 2.076 . . . . 0.0 112.263 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 tp -102.11 94.45 4.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.56 143.24 56.26 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.436 2.091 . . . . 0.0 112.282 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 31.1 m -136.04 141.62 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.4 tt -115.23 114.25 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.1 mp -139.03 124.37 11.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 143' ' ' TYR . 15.2 Cg_exo -68.71 148.36 71.53 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.448 2.099 . . . . 0.0 112.061 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.8 tt -154.31 152.67 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -117.89 157.39 26.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.8 p -116.29 114.88 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.3 p -145.02 115.97 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.984 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.21 -170.96 12.43 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.649 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -168.42 128.39 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.728 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 65.71 -135.72 35.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.279 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -87.35 23.95 0.77 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.782 2.322 . . . . 0.0 112.843 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 9.0 p -138.92 139.76 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.99 145.01 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -127.4 134.35 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -126.48 132.93 51.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.41 130.03 55.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.5 m -109.56 115.26 29.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 128' ' ' PRO . 45.0 p90 -106.25 125.03 50.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.85 91.92 28.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.208 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.83 122.13 11.1 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.529 2.153 . . . . 0.0 112.236 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -94.29 -114.51 2.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.2 -49.2 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -176.98 -63.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.06 -21.23 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -96.07 27.04 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.208 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -154.94 -150.11 5.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.4 m120 63.42 62.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.9 p -108.63 158.44 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.958 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -130.1 146.47 51.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -125.55 133.66 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.29 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -142.02 117.43 10.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.96 127.89 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.09 111.27 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . 0.421 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.3 OUTLIER -109.19 147.03 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -113.05 137.54 51.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 160' ' ' PHE . 44.4 m-85 -128.55 174.89 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.76 154.28 33.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.34 -31.23 26.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.45 139.28 9.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -103.36 30.16 5.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.53 -76.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -141.49 -47.52 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 61.03 172.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 11.8 m170 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.89 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.884 0.373 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -168.92 -42.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.18 -56.21 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.17 -28.87 57.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -67.0 -37.03 83.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -79.03 -30.58 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -52.18 66.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.0 t -62.5 -47.51 83.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.4 p -62.79 -31.54 72.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.63 -33.81 73.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -59.94 -41.17 91.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.81 -31.14 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -68.32 -34.96 77.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 HD13 HG23 ' A' ' 14' ' ' ILE . 32.0 mm -70.73 -50.93 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -37.44 87.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -67.18 -36.2 81.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -35.63 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -62.87 -47.83 81.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -60.47 -58.66 7.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.79 164.57 32.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.55 -168.13 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.579 2.186 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -111.54 -72.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -100.15 161.44 13.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -126.08 121.33 32.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -115.06 165.92 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tp -130.24 116.82 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -94.75 134.4 37.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.3 tt -154.75 136.08 9.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 18.7 Cg_endo -60.1 125.31 17.24 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.462 2.108 . . . . 0.0 112.228 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.31 -77.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.5 tt -156.25 158.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 ' CZ ' ' A' ' 155' ' ' PHE . 55.9 m -136.75 138.02 40.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.81 124.21 38.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -106.17 129.82 54.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.2 159.41 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.37 -59.52 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.67 -71.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.01 177.89 4.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -82.98 88.29 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.79 115.69 23.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -157.9 33.52 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -98.78 -56.06 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -155.65 82.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -132.58 -47.26 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.95 153.79 41.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.9 ttt-85 -175.65 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -155.05 103.56 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -104.58 120.42 41.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -106.2 165.96 10.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -154.08 159.33 32.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.7 162.55 40.68 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -99.55 89.49 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -134.48 178.73 18.21 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.94 145.27 10.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -146.13 173.23 26.5 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.682 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -126.48 171.33 11.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 0.0 110.711 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -140.42 134.56 6.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.586 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 mt -122.03 123.01 40.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.9 t -132.21 157.88 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.57 163.16 39.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.72 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 67' ' ' TRP . 19.7 p90 -115.64 154.7 29.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -119.89 147.01 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.89 -22.87 10.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.507 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -92.66 35.04 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.18 44.38 88.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.615 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.64 147.41 31.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.407 ' CZ3' ' HB3' ' A' ' 61' ' ' TRP . 15.4 t-105 -129.98 95.94 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -74.52 146.92 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.749 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.52 118.32 1.4 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.711 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD11 ' CD2' ' A' ' 88' ' ' TYR . 4.3 mp -114.55 146.05 41.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.558 0.218 . . . . 0.0 110.466 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' HB2' ' HA3' ' A' ' 87' ' ' GLY . 4.2 m-85 -113.48 155.91 24.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.977 0.418 . . . . 0.0 111.165 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.32 133.04 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.595 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.2 mtt -161.1 166.93 27.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 0.0 111.267 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.16 132.82 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -125.68 171.79 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.01 140.61 50.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.33 -173.47 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -35.0 64.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -101.33 -66.02 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -175.55 103.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -168.15 112.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -94.37 123.41 37.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -112.53 98.83 45.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -81.74 159.98 18.95 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.663 2.242 . . . . 0.0 112.51 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.9 mt -139.61 147.67 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.85 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.21 156.99 47.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.086 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.401 ' HA3' ' HB2' ' A' ' 71' ' ' TYR . . . -138.05 144.97 16.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.331 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.415 ' CD2' HD11 ' A' ' 70' ' ' LEU . 42.7 m-85 -152.17 109.93 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.832 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.03 169.89 41.14 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.539 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -115.09 154.81 28.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -157.16 163.33 39.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.7 m -115.88 116.25 27.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.86 119.5 33.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.13 148.96 52.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -116.45 132.4 23.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.15 174.63 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.428 2.085 . . . . 0.0 112.337 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mp -94.86 -41.47 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.03 -43.63 43.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -81.79 172.41 13.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.87 -63.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -68.04 -32.65 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -62.13 123.17 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.74 146.43 50.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.13 144.82 40.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.78 135.12 5.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.2 tt -126.77 141.58 51.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.59 -159.79 24.6 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -122.05 131.37 53.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.9 p -122.06 134.69 54.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.3 113.92 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -101.57 140.28 14.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 28.4 m -115.38 125.9 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.087 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -99.95 111.89 24.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -98.06 141.49 30.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.208 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -158.02 150.06 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.02 -165.19 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.783 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -140.9 122.64 15.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.197 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.7 m0 60.9 55.03 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -179.74 -41.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -123.06 64.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.775 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.8 pt -65.65 157.71 77.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.57 118.14 3.15 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.809 2.34 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -99.95 108.44 51.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.25 156.31 51.58 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.545 2.163 . . . . 0.0 112.246 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.8 m -150.04 115.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.3 117.95 22.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 128' ' ' PRO . 5.0 mt -147.93 146.56 24.16 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 14.8 Cg_exo -68.86 136.51 35.63 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.609 2.206 . . . . 0.0 112.08 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 tt -150.1 152.78 35.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -140.86 161.58 37.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.91 117.2 23.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 31.3 m -134.51 137.8 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.55 -155.48 15.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -171.03 140.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.775 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.05 -135.37 51.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.331 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -86.31 37.12 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.727 2.285 . . . . 0.0 112.79 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.13 121.79 10.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.786 0.327 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 56.3 m -125.03 130.38 52.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.71 143.3 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -115.12 145.45 42.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 16.3 mtm -131.74 130.01 41.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.2 m -120.97 151.09 40.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.48 141.32 51.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 30.2 mm -112.29 91.93 17.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.38 164.41 35.8 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.642 2.228 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.4 ' O ' ' CE2' ' A' ' 148' ' ' TYR . . . 169.04 -103.56 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.528 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 10.0 t -86.86 -24.26 24.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.718 0.294 . . . . 0.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.4 ' CE2' ' O ' ' A' ' 146' ' ' GLY . 29.2 m-85 67.93 12.86 9.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.392 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -110.1 -51.19 2.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.807 0.337 . . . . 0.0 110.765 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -115.04 -25.2 8.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -65.97 -127.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.61 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 60.07 74.02 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 20.4 t -108.43 139.39 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.72 147.01 31.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER -128.26 128.07 43.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -104.81 122.57 46.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.413 ' CH2' ' HB3' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -118.68 161.26 20.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.2 ttp -116.33 144.3 44.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -150.23 123.13 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -111.34 145.01 39.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.32 116.94 33.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -128.1 159.66 34.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.3 mt -143.19 150.96 40.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 60.63 76.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -143.35 144.6 32.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -88.68 139.16 30.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.26 164.9 3.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -98.69 170.24 8.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -98.51 144.7 27.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.714 0.293 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -122.86 -178.84 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.25 -56.11 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.72 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.98 -28.67 64.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.547 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.03 -33.6 57.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.89 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.1 -42.35 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t -56.49 -28.39 59.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.8 m -58.31 -33.48 69.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -76.08 -31.52 58.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -59.37 -37.63 78.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.19 -31.3 71.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.86 -56.96 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.5 pt -59.55 -33.6 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.77 -31.69 63.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.78 -59.25 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.5 p -59.82 -30.88 69.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -60.11 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -167.54 77.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.8 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -153.57 140.96 13.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.5 176.26 6.81 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.46 2.107 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -153.77 31.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -115.47 144.82 43.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.65 104.18 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.417 ' HD2' HE21 ' A' ' 161' ' ' GLN . 5.7 m-20 -89.39 126.09 35.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' CB ' ' CZ ' ' A' ' 160' ' ' PHE . 4.9 mp -108.32 149.81 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 12.9 m-85 -133.43 130.67 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 pt -138.21 153.55 73.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HA ' ' CE3' ' A' ' 157' ' ' TRP . 54.3 Cg_endo -69.96 156.56 62.54 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.587 2.191 . . . . 0.0 112.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.69 -69.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tp -146.32 141.92 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.075 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.0 p -141.26 153.36 45.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -94.48 132.83 38.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.48 115.5 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.75 178.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.5 ttt-85 -160.79 -47.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -144.42 51.47 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.0 144.04 29.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.423 ' CD2' ' O ' ' A' ' 39' ' ' TYR . 16.4 p90 -57.39 89.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -124.96 147.61 48.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -150.91 -75.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.96 44.24 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 tttm 61.03 95.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -128.47 31.23 5.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.48 140.08 30.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.83 -43.11 6.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.98 120.82 43.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -97.74 154.36 17.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.62 140.41 36.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -136.13 100.08 10.81 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.408 ' O ' ' CG ' ' A' ' 52' ' ' TRP . 42.6 Cg_endo -67.79 133.03 28.24 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.445 2.097 . . . . 0.0 112.332 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.408 ' CG ' ' O ' ' A' ' 51' ' ' PRO . 1.7 m0 -176.34 157.73 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.19 -147.12 16.97 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.624 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.9 169.42 15.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.56 -153.11 9.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -134.92 168.63 18.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.32 175.01 37.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -119.01 146.06 45.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.76 175.06 6.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -158.68 165.15 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.466 ' CD1' ' CE2' ' A' ' 67' ' ' TRP . 12.9 m0 -129.21 127.97 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.48 146.83 24.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.06 -23.74 8.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.48 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.77 34.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.723 0.297 . . . . 0.0 111.09 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.96 45.8 85.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.575 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.52 151.41 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.466 ' CE2' ' CD1' ' A' ' 61' ' ' TRP . 5.2 m95 -129.25 101.55 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.88 162.34 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 88' ' ' TYR . . . 169.06 171.88 35.24 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.627 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.98 166.08 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 87' ' ' GLY . 18.9 p90 -148.93 121.22 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.68 121.57 43.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 23.9 ttp -133.87 126.42 30.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.92 140.02 31.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -121.32 117.39 26.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -83.11 139.66 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -112.28 -177.23 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -74.94 -33.13 61.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -163.05 34.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -130.05 23.86 5.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.46 -169.01 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.078 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -90.94 155.01 19.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -136.63 98.92 10.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.79 154.76 54.0 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.504 2.136 . . . . 0.0 112.296 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mp -142.75 119.99 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.97 117.98 35.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.422 ' O ' ' CE2' ' A' ' 71' ' ' TYR . . . -135.79 139.97 11.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.293 -0.956 . . . . 0.0 113.008 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.417 ' CE1' ' HA2' ' A' ' 69' ' ' GLY . 2.6 t80 -96.38 125.81 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.47 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.62 152.13 19.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.731 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -106.15 139.42 40.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -150.11 131.79 14.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.981 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.7 t -96.49 126.92 42.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.1 p -79.8 143.58 34.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -145.99 124.28 12.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -101.38 128.74 28.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.799 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.81 -174.49 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.433 2.088 . . . . 0.0 112.36 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mt -110.66 -32.37 6.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.17 70.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.78 179.13 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -131.08 -55.62 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -60.89 -31.15 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.27 121.16 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.34 130.97 54.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.54 145.09 44.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.72 148.44 17.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.8 tp -149.72 152.55 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.87 -162.94 35.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.552 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -112.43 170.99 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.2 p -146.72 115.63 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.81 148.02 52.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -176.16 -157.49 17.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.738 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.34 153.64 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.8 p -105.12 157.22 17.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -98.78 126.19 44.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.7 ttm-85 -154.8 134.82 13.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.53 135.88 38.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -166.02 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.66 -57.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 39.3 m-20 -143.98 41.15 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.435 ' CG ' ' O ' ' A' ' 119' ' ' ASN . 48.0 p90 44.0 35.72 1.23 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.56 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 pt -65.86 111.32 6.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.93 158.5 24.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.507 2.138 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.98 99.68 24.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.58 133.99 36.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.405 2.07 . . . . 0.0 112.474 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -149.97 146.16 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.28 125.82 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.03 160.02 34.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.82 153.0 73.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.749 2.3 . . . . 0.0 112.174 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.7 tt -161.6 153.46 19.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.97 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -137.21 175.35 9.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.4 t -150.23 118.22 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 15.0 m -141.98 125.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -163.3 -152.24 6.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 134' ' ' TYR . 30.0 p90 -171.06 135.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 64.0 -135.72 40.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.409 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -87.3 28.9 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.816 2.344 . . . . 0.0 113.024 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.98 106.29 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.7 m -109.13 130.06 55.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -107.04 113.96 27.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -106.79 136.62 46.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.1 ptp -122.38 129.99 52.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.2 t -108.18 139.16 43.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -109.65 120.6 43.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 27.9 mt -102.31 107.66 54.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.09 136.07 36.67 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.341 2.027 . . . . 0.0 112.328 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -153.15 97.98 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.404 ' O ' ' CD2' ' A' ' 148' ' ' TYR . 0.3 OUTLIER 60.92 31.06 19.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 147' ' ' THR . 1.8 m-85 -166.02 177.98 6.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -106.4 -34.57 7.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -72.87 -25.06 60.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 125.28 -174.89 17.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.564 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -138.63 -66.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.25 143.95 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' A' ' 154' ' ' TYR . 3.5 m-85 -108.43 146.98 32.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -136.74 127.71 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -97.66 151.17 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.418 ' CE3' ' HA ' ' A' ' 29' ' ' PRO . 97.7 m95 -155.09 139.77 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -96.84 140.8 30.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.401 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -132.24 134.66 45.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 160' ' ' PHE . 2.3 p90 -144.97 128.08 16.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.417 HE21 ' HD2' ' A' ' 25' ' ' ASP . 43.5 tt0 -89.95 134.36 34.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.83 115.25 17.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.84 124.69 28.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 61.28 175.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.05 170.02 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -152.85 171.47 18.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 60.21 171.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -139.12 151.76 46.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -115.49 82.69 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.287 -0.864 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 tpt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.834 0.35 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.46 76.21 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.11 -56.15 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -76.04 -28.96 57.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.671 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.18 -31.75 72.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -31.7 69.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 88.5 mtp -64.36 -46.36 83.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.0 p -60.58 -48.7 80.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.7 p -60.26 -35.16 74.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.71 -31.51 71.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -63.5 -40.94 98.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -34.56 75.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.22 -49.19 72.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 tp -69.48 -31.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.55 -34.15 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -74.47 -44.18 52.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.7 t -65.17 -34.0 77.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -61.18 2.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -85.97 150.98 53.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.61 -70.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.561 2.174 . . . . 0.0 112.34 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -174.47 -74.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.419 ' CE1' HD23 ' A' ' 163' ' ' LEU . 98.7 m-70 -144.68 172.79 12.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.41 120.56 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -104.38 140.35 38.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.413 HD22 ' CE2' ' A' ' 56' ' ' PHE . 5.2 mt -135.78 112.41 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.04 125.91 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.2 mt -138.22 135.86 18.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.76 106.93 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.447 2.098 . . . . 0.0 112.241 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.64 -69.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 pt -157.67 164.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 p -139.01 174.55 10.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -95.57 123.97 39.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.17 149.98 38.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.42 175.89 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -87.73 -48.03 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -125.14 74.37 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.03 151.78 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.076 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.43 83.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -80.89 151.8 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -99.31 31.6 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -71.73 -49.4 39.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt 60.25 31.5 20.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 p 55.62 31.33 17.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.53 117.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.81 140.57 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -161.35 -45.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -80.42 111.92 17.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -102.83 159.89 15.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.76 147.05 35.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.74 171.98 16.19 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.571 2.181 . . . . 0.0 112.371 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -129.5 167.15 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.23 -165.33 13.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.99 149.33 20.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.522 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -107.95 139.75 15.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.413 ' CE2' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -152.04 127.71 10.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.36 -163.02 17.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.526 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mt -132.68 169.82 16.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 p -142.18 157.67 44.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.11 175.59 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -144.09 138.17 28.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -95.25 147.48 23.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.7 -21.32 17.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.455 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -91.65 35.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 111.226 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.43 51.58 55.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.625 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.02 155.39 35.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -128.23 106.83 9.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -127.82 133.59 49.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.58 177.06 43.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.405 ' CD2' ' N ' ' A' ' 71' ' ' TYR . 7.1 tt -125.74 162.79 24.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.649 0.262 . . . . 0.0 110.768 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.417 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 54.2 p90 -144.12 118.87 9.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.857 0.36 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.82 117.45 30.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.95 122.3 47.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.5 130.32 45.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.46 124.83 43.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -82.97 134.59 35.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.68 -176.64 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.5 p -86.81 -13.07 46.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.363 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.06 26.51 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.641 0.257 . . . . 0.0 111.166 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 54.94 42.42 31.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -130.53 155.72 46.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.419 ' CZ3' ' HG3' ' A' ' 84' ' ' PRO . 22.9 p-90 -115.28 131.24 56.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.93 98.8 22.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.419 ' HG3' ' CZ3' ' A' ' 82' ' ' TRP . 89.7 Cg_endo -78.36 156.54 29.09 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.551 2.167 . . . . 0.0 112.296 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.2 tt -151.34 119.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.197 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.52 117.85 33.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.712 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.417 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -118.94 138.36 13.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.556 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -89.3 118.69 29.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.775 0.322 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -98.09 122.11 7.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -126.96 111.94 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.794 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -145.19 168.05 21.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.0 p -119.46 107.63 13.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.814 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 t -76.82 141.42 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -134.44 122.61 22.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -96.89 109.29 48.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.16 -175.45 0.82 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.364 2.043 . . . . 0.0 112.324 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.84 -32.18 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.88 89.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.21 147.68 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.22 -45.67 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -65.03 -31.92 73.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.45 119.04 20.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -115.62 126.48 54.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.1 tt -119.44 121.09 38.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -133.13 176.28 19.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.29 147.82 27.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.818 0.342 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.25 -148.16 11.85 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -146.93 166.21 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.1 p -147.41 118.13 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.36 118.56 33.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -93.54 134.3 12.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.616 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 28.0 t -111.86 115.09 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 111.034 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 24.9 p -98.87 140.31 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -87.83 117.46 26.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -122.39 144.29 49.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.88 85.39 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -103.44 -68.81 0.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -96.33 -42.74 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -156.65 -61.21 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -176.84 64.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.7 mp -101.88 105.01 39.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.02 162.98 10.36 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.48 2.12 . . . . 0.0 112.266 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.18 87.0 56.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.13 152.0 44.87 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.616 2.211 . . . . 0.0 112.383 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.0 m -150.06 116.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.8 mt -82.03 128.95 34.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.07 116.89 11.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.765 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.65 138.95 42.94 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.527 2.151 . . . . 0.0 112.111 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 pp -166.89 163.14 16.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -109.26 169.49 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.017 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.03 135.35 48.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.84 158.86 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.9 151.06 23.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.72 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.449 ' CE2' ' CG1' ' A' ' 137' ' ' VAL . 2.1 p90 -160.7 111.93 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.395 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 65.96 -136.14 35.3 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.92 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -88.74 23.96 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.779 2.32 . . . . 0.0 112.779 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.449 ' CG1' ' CE2' ' A' ' 134' ' ' TYR . 10.4 p -142.13 150.08 19.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.843 0.354 . . . . 0.0 111.405 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.5 p -125.01 145.05 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.765 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.81 125.24 37.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.959 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -114.29 140.65 48.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.74 131.75 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.1 m -111.01 146.99 35.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 143' ' ' TYR . 5.0 p90 -139.22 106.51 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 8.3 tt -95.54 124.1 54.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.7 127.88 14.43 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.446 2.097 . . . . 0.0 112.243 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -99.4 -36.43 4.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 34.4 p -158.29 -45.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -107.5 -177.79 3.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -75.76 -23.3 55.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -62.93 -24.98 68.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.04 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.56 -159.15 16.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -158.15 -58.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.5 t -114.15 138.26 44.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -121.39 141.59 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -142.24 134.34 27.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -129.46 148.22 51.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -145.85 163.74 34.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.767 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 8.6 ttm -108.89 148.55 30.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.45 128.09 30.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.54 137.34 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -117.09 107.91 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.88 136.73 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.419 HD23 ' CE1' ' A' ' 23' ' ' HIS . 11.5 mt -108.86 134.02 52.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 60.46 -176.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -101.74 179.21 4.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -71.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -77.18 164.65 25.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -124.73 31.63 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -148.2 125.18 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.928 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.7 mtt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.865 0.364 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -73.1 -174.51 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.16 -56.13 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.13 -28.9 57.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.644 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.07 -31.96 71.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -78.93 -34.44 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 ttm -68.1 -31.85 71.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -57.95 4.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -60.79 -32.51 71.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.408 ' CE2' HG23 ' A' ' 14' ' ' ILE . 60.4 t80 -75.18 -44.38 46.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -66.8 -31.47 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -69.5 -34.26 74.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.38 -55.08 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.964 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.408 HG23 ' CE2' ' A' ' 10' ' ' PHE . 2.6 pp -59.29 -37.62 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -30.1 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -77.2 -46.98 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -60.36 -48.17 82.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -62.8 -49.83 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.71 -66.29 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -124.76 101.82 32.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.785 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.92 -27.34 36.94 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.401 2.068 . . . . 0.0 112.346 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.09 147.58 34.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -120.86 177.18 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.25 117.63 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -111.68 139.45 47.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mp -101.77 140.51 35.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CZ ' ' HD2' ' A' ' 159' ' ' ARG . 11.1 m-85 -123.25 115.96 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 mm -141.69 135.92 15.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.67 159.31 51.32 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.497 2.132 . . . . 0.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.69 -50.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.424 ' N ' ' CD1' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -141.11 156.34 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -154.77 142.51 19.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -92.01 134.49 34.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -110.44 150.0 29.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 61.15 -173.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.7 mtm105 -108.24 -68.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -149.15 71.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.86 172.25 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -77.53 84.06 3.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.75 125.1 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -126.86 -55.39 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.08 -43.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -110.03 67.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 p -137.89 30.82 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -177.32 161.86 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 -179.83 3.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -133.28 35.46 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -92.53 159.9 15.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -130.48 109.44 10.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -105.73 156.44 36.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.24 113.78 3.4 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.535 2.157 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -98.02 -31.12 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.97 149.72 10.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.99 -167.09 33.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.86 -144.9 10.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.541 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -124.9 174.04 8.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.98 160.5 32.54 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.16 160.56 18.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -159.52 163.1 35.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.988 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.8 mtm-85 -137.34 151.82 49.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -99.98 116.93 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.15 140.09 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.77 -22.56 5.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.47 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -90.7 30.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 111.061 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.15 48.99 75.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.572 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -121.29 153.12 38.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -123.57 110.49 15.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -134.03 137.31 44.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.69 159.2 31.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.834 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.7 tp -89.63 159.37 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.693 0.282 . . . . 0.0 110.75 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 71.9 m-85 -126.25 118.78 25.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.666 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.8 110.0 21.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.404 ' CG ' ' CG2' ' A' ' 85' ' ' ILE . 2.2 ptt? -138.98 151.31 46.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -122.62 144.74 48.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -103.93 113.08 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.688 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 123.33 29.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.41 152.89 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.88 -25.25 63.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -139.34 -42.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -165.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -110.99 -177.85 3.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -74.15 139.04 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -109.58 98.87 34.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.774 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.74 146.26 53.66 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.556 2.171 . . . . 0.0 112.409 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.404 ' CG2' ' CG ' ' A' ' 73' ' ' MET . 11.3 tt -150.39 136.38 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -130.9 117.96 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.751 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.58 135.92 7.72 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.953 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 125.3 35.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.775 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.51 146.38 16.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 24.0 t90 -121.34 111.98 18.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.318 . . . . 0.0 110.718 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.96 147.84 52.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -95.49 132.87 40.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 m -91.39 131.87 36.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -146.05 147.58 31.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -124.01 143.18 41.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.47 -176.14 2.6 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.478 2.119 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.25 -31.21 10.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.92 -30.32 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -127.65 152.13 48.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -109.26 -31.18 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.423 ' HB2' ' CE2' ' A' ' 134' ' ' TYR . 4.3 m-80 -83.0 -26.16 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 133' ' ' GLY . 2.5 t80 -56.21 116.53 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -92.52 136.34 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 mt -142.77 148.47 37.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.65 165.12 34.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.65 152.12 28.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.19 -164.59 37.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -116.05 170.76 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.792 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.9 p -146.29 112.73 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.001 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.21 132.24 54.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.44 171.45 27.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.84 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.85 124.51 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 t -103.79 133.99 47.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -156.68 166.17 34.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.291 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.0 141.02 14.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.933 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.08 -85.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 173.98 -80.31 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.73 0.3 . . . . 0.0 111.016 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -86.37 81.13 8.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.959 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 172.06 -38.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -143.38 72.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.422 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.416 ' CG2' ' HD2' ' A' ' 122' ' ' PRO . 3.7 mp -65.38 139.32 97.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.416 ' HD2' ' CG2' ' A' ' 121' ' ' ILE . 87.1 Cg_exo -47.35 107.18 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.63 2.22 . . . . 0.0 112.675 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.56 129.94 23.87 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.629 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.41 146.0 54.94 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.496 2.131 . . . . 0.0 112.535 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.6 p -150.0 116.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.993 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.1 tp -111.06 134.42 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.05 146.56 20.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.21 128.92 14.36 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.59 2.193 . . . . 0.0 112.282 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.1 tt -133.8 151.38 51.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.971 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -136.97 159.3 42.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m -132.29 114.25 14.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 31.0 m -144.99 125.05 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.405 ' O ' ' CD1' ' A' ' 102' ' ' PHE . . . -168.94 -142.18 3.44 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.46 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' A' ' 101' ' ' ASN . 13.3 t80 -166.05 128.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.764 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.36 -132.18 30.1 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.543 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -85.1 14.03 2.6 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.703 2.269 . . . . 0.0 113.215 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.5 m -126.43 116.49 45.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.814 0.34 . . . . 0.0 111.242 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.98 119.81 29.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -79.76 143.73 34.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -106.6 135.59 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.9 130.12 50.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.1 m -127.38 140.28 52.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 143' ' ' TYR . 3.0 m-85 -115.92 113.32 23.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.8 mt -113.44 92.26 22.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.63 149.39 73.73 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.543 2.162 . . . . 0.0 112.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -113.43 -61.92 0.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.534 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 6.8 t -137.47 35.45 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -157.52 -176.3 5.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -105.27 -10.77 16.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.334 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.31 27.04 3.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.764 0.316 . . . . 0.0 111.186 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.53 170.02 1.51 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.536 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -129.41 -67.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 12.2 p -109.49 134.82 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -114.27 137.55 51.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -114.95 143.97 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -122.34 123.18 40.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -118.46 167.11 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' MET . . . . . 0.414 ' HE1' ' CE1' ' A' ' 160' ' ' PHE . 3.3 mtp -105.3 138.56 41.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 1.8 ttp180 -122.95 116.46 23.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . 0.414 ' CE1' ' HE1' ' A' ' 158' ' ' MET . 2.2 m-85 -109.01 146.97 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -100.39 117.35 34.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.55 140.78 52.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.1 pp -150.32 120.24 7.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 59.76 168.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 18.0 m170 60.32 84.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -128.07 49.34 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.0 35.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.86 -45.05 11.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -79.34 -56.25 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 18.3 m170 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.918 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.811 0.338 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -178.36 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.14 -56.11 4.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.765 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.97 -28.81 60.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.7 -33.54 71.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -29.97 44.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -58.61 -33.15 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m -80.01 -31.09 39.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 m -75.42 -33.75 60.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.97 -35.29 59.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -64.63 -31.84 73.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.32 -32.33 70.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.44 -56.99 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -44.28 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.97 -28.23 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -70.16 -46.56 64.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -73.79 -30.92 63.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -30.15 45.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -86.23 -37.7 18.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -105.21 89.46 3.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.45 -174.58 0.87 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.593 2.195 . . . . 0.0 112.214 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 62.68 146.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -139.49 176.19 8.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -106.51 98.0 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.68 162.49 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.81 129.45 36.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.67 120.06 37.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.3 mm -128.93 138.98 34.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -52.08 150.33 19.14 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.53 2.154 . . . . 0.0 112.297 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.78 -75.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pt -154.85 123.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.7 p -111.59 143.96 41.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.11 122.04 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -115.42 150.03 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.21 126.49 27.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -100.19 30.74 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -30.3 66.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.85 129.04 45.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.17 85.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -86.85 113.42 22.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -172.59 36.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -130.72 77.57 1.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt 60.49 89.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -107.03 -60.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -108.66 86.8 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -141.58 -48.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -152.11 35.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -103.28 145.29 30.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -89.79 132.74 35.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -98.62 151.35 37.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.28 102.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.555 2.17 . . . . 0.0 112.291 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -67.73 115.83 7.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.79 -179.29 35.46 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.59 159.71 11.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.12 -175.81 21.86 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.607 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -132.69 174.11 10.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.301 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.81 132.95 4.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.614 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -108.63 123.05 48.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -85.33 155.67 21.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -154.77 155.41 34.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.778 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.5 m-90 -113.14 136.61 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.79 136.9 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -52.86 -24.42 9.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.394 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -94.3 34.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.48 44.66 85.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.446 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.97 161.07 19.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.137 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.48 112.94 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.732 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.97 163.11 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.72 159.88 26.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.684 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 7.4 tt -99.27 166.0 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.608 0.242 . . . . 0.0 110.709 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 18.4 p90 -148.89 118.93 7.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 110.979 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -97.15 110.02 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.4 ttm -110.92 121.92 46.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.85 130.02 56.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.96 126.29 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -94.51 145.18 24.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -111.15 170.51 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -59.71 -30.46 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -166.64 41.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -134.0 26.01 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 56.62 -165.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 12.8 p-90 -101.92 144.16 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.788 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.82 102.64 54.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -79.7 153.88 23.3 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.566 2.178 . . . . 0.0 112.214 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.446 HD13 HG21 ' A' ' 85' ' ' ILE . 25.1 mt -149.56 119.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -116.99 117.82 30.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.428 ' O ' ' CE2' ' A' ' 71' ' ' TYR . . . -134.85 144.61 16.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.785 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' A' ' 70' ' ' LEU . 75.9 m-85 -95.52 124.65 39.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.761 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.54 129.7 9.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.8 m-90 -107.67 112.06 24.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.81 0.338 . . . . 0.0 110.737 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.536 ' HE2' HG21 ' A' ' 109' ' ' THR . 11.6 mp0 -132.49 153.47 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.73 120.81 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.5 p -90.09 137.8 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.956 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -145.99 123.12 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.26 132.2 25.98 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.33 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.456 2.104 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.3 -28.9 11.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.87 -44.87 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.9 165.58 32.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -96.11 -36.5 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -60.0 -30.83 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.07 91.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -92.24 120.23 32.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.75 117.31 32.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -128.35 138.51 10.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 mt -146.0 140.46 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.3 -153.82 22.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.589 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 108' ' ' PHE . 7.1 m-85 -129.47 171.05 12.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.805 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.536 HG21 ' HE2' ' A' ' 91' ' ' GLU . 36.9 p -145.76 142.96 29.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.25 135.81 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -144.73 174.8 24.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.633 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.7 p -127.99 139.55 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 111.138 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.1 m -103.71 142.48 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.417 ' HB1' ' CZ ' ' A' ' 120' ' ' TYR . . . -97.25 126.71 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -146.35 133.36 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -96.33 41.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -65.99 -32.08 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -136.34 -56.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -165.13 49.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.417 ' CZ ' ' HB1' ' A' ' 114' ' ' ALA . 1.0 OUTLIER 60.86 69.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.456 HG21 HD13 ' A' ' 121' ' ' ILE . 0.0 OUTLIER -93.68 119.87 66.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.86 120.13 6.66 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.395 2.063 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.3 mt -103.39 92.13 3.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.93 154.27 71.17 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.47 2.113 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.19 152.03 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.98 120.96 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.8 pp -149.97 136.35 10.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.18 153.05 36.02 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.51 2.14 . . . . 0.0 112.305 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.2 pp -168.17 162.31 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.57 158.68 33.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.0 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.5 t -128.46 143.81 51.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.01 116.06 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.09 149.36 18.39 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.625 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -154.67 111.96 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.5 -133.42 51.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.066 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -88.23 24.36 0.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.75 2.3 . . . . 0.0 112.884 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.09 140.95 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.871 0.367 . . . . 0.0 111.22 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 80.2 m -125.13 128.29 48.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.74 144.0 37.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.58 123.8 19.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 1.1 tpp -108.85 142.86 38.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 16.4 p -123.02 151.99 41.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 154' ' ' TYR . 3.2 m-85 -136.56 121.82 19.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 6.6 tp -106.26 129.9 23.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.84 158.41 6.38 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.444 2.096 . . . . 0.0 112.303 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -163.61 38.29 0.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.571 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.7 m 59.46 31.5 21.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.54 141.93 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -79.84 -31.13 40.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -98.24 26.98 4.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 73.39 168.36 14.54 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -127.17 -57.02 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.0 m -147.44 146.48 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.406 ' HB3' ' CE1' ' A' ' 143' ' ' TYR . 7.0 p90 -132.39 142.99 49.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -112.68 134.56 54.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -98.84 155.46 17.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.074 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -154.07 141.88 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 12.7 mtp -92.17 154.2 18.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -139.58 120.11 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -113.44 139.26 49.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -102.54 115.58 30.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -115.4 130.19 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.94 138.44 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.25 140.94 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -144.72 171.51 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -129.93 -53.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . 0.432 ' CE1' ' CE1' ' A' ' 169' ' ' HIS . 1.2 t-160 57.8 93.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -52.72 64.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.432 ' CE1' ' CE1' ' A' ' 167' ' ' HIS . 1.5 m80 64.89 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.908 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 tpp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.29 -40.0 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.24 -56.11 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.43 . . . . 0.0 110.741 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.32 -28.84 63.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.523 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.69 -31.07 68.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -42.94 99.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 mtt -63.03 -44.3 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -64.0 -31.66 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.0 m -68.69 -31.38 70.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -72.76 -36.09 67.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -59.55 -31.18 69.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.96 -30.72 69.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -74.91 -36.38 62.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.6 mm -68.36 -50.54 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.18 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -30.56 70.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -45.43 70.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 t -74.2 -31.54 62.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -68.06 -35.4 78.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -89.74 -61.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -112.6 164.35 15.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.783 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.82 -177.27 0.91 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.539 2.159 . . . . 0.0 112.297 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.58 -60.79 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -140.73 149.91 42.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.37 116.14 31.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' HD2' ' HB2' ' A' ' 59' ' ' SER . 1.3 m-20 -105.71 119.43 39.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.79 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.9 143.22 26.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -138.78 122.41 17.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.498 HG23 HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -155.82 152.94 25.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.83 158.21 58.33 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.329 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.93 -76.06 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 pp -153.54 159.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.8 p -142.53 117.11 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -143.62 157.02 44.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -85.55 124.93 32.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.98 93.04 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -130.09 -64.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -162.51 -69.03 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.11 130.17 46.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -63.84 84.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -106.7 144.53 33.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.92 -43.5 68.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 78.16 -55.75 0.49 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.088 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.79 -43.2 4.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.39 93.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -86.23 132.9 33.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -89.46 -53.29 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -86.69 118.83 26.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -99.4 146.41 26.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -129.54 126.63 39.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -116.0 88.35 21.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.416 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 51.4 Cg_endo -69.43 168.53 20.84 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.506 2.137 . . . . 0.0 112.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -104.53 144.32 31.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.62 158.11 9.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.05 150.43 22.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.468 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -113.55 135.95 12.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.578 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -152.13 119.08 5.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.284 . . . . 0.0 110.603 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.41 178.09 16.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.703 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.1 141.59 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.798 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.43 ' HB2' ' HD2' ' A' ' 25' ' ' ASP . 0.4 OUTLIER -90.26 153.79 20.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.99 100.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.718 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -99.84 164.03 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -110.58 152.62 26.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.786 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -55.9 -20.72 16.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.544 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -90.37 35.04 0.87 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.686 0.279 . . . . 0.0 111.269 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.62 53.54 40.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.629 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -121.62 145.86 47.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -118.74 113.42 21.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -134.02 156.03 48.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.07 169.01 40.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.608 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 88' ' ' TYR . 2.7 mp -104.11 166.06 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.666 0.27 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -129.4 118.82 22.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.66 109.83 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.3 ttp -118.08 144.23 45.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.06 129.94 38.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.92 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -119.06 112.98 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -99.84 111.56 23.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -69.86 -177.07 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -86.39 -20.34 28.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.207 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.95 30.09 0.31 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 0.0 110.733 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.77 -163.66 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.671 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -98.51 176.84 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 27.8 p90 -82.07 151.25 27.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -114.93 98.98 51.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.35 150.42 36.67 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.555 2.17 . . . . 0.0 112.322 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mt -143.97 139.24 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.3 117.8 12.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.674 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -130.95 -170.44 12.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.627 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.404 ' CE2' HD11 ' A' ' 70' ' ' LEU . 56.6 m-85 -145.48 121.81 10.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.788 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.15 148.08 16.38 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.438 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -145.76 121.36 10.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -149.53 167.82 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 m -121.42 105.86 10.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.8 p -107.21 127.44 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -129.54 161.7 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 155.14 48.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.34 175.52 7.65 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.59 2.193 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.04 -30.78 69.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.54 -31.07 69.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.98 96.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -150.24 -178.17 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -60.53 -33.04 72.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.51 127.12 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -143.85 144.23 31.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.89 140.32 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -156.89 174.2 34.54 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.56 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.1 mt -144.96 138.47 26.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -163.42 -158.75 10.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.579 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -133.09 123.5 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.2 m -97.73 109.19 21.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.72 164.24 14.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -178.79 166.74 36.65 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.647 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.8 165.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.91 148.42 44.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.99 121.9 17.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.84 149.76 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -107.55 140.83 39.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -148.24 -59.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -122.16 -45.91 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -168.31 -43.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.02 56.24 0.3 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 mt -104.51 92.92 5.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.33 162.99 40.6 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.575 2.183 . . . . 0.0 112.347 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.0 tp -102.09 96.83 7.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.81 147.03 61.68 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.524 2.149 . . . . 0.0 112.394 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.01 125.99 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.16 137.86 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -149.97 116.91 3.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 15.0 Cg_exo -68.6 128.48 17.17 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.532 2.155 . . . . 0.0 112.124 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.9 mp -142.44 162.03 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -131.23 161.32 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 m -118.57 119.77 35.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.02 115.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -172.17 -149.6 6.77 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.432 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.426 ' CZ ' HG21 ' A' ' 137' ' ' VAL . 53.6 p90 -169.67 120.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.765 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.55 -132.35 29.68 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.706 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.73 -4.67 15.16 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.866 2.377 . . . . 0.0 113.516 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.426 HG21 ' CZ ' ' A' ' 134' ' ' TYR . 5.2 m -109.04 119.58 58.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.4 m -125.09 108.92 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.413 ' CZ ' ' HB1' ' A' ' 156' ' ' ALA . 26.3 t80 -101.48 114.47 28.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.811 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -109.6 145.97 35.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.37 148.67 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.696 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 61.0 m -123.36 152.02 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.7 122.53 33.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.615 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' A' ' 144' ' ' ILE . 3.3 mp -108.48 91.87 9.12 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.17 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.33 150.0 28.32 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.554 2.169 . . . . 0.0 112.221 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -172.7 75.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.577 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 90.1 m 64.32 -76.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.693 0.282 . . . . 0.0 111.063 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -170.77 -66.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -60.95 -43.11 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -97.94 27.15 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -153.32 98.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.541 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 174.55 40.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.9 m -123.21 152.97 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -123.63 125.23 44.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.431 ' CD2' ' CZ2' ' A' ' 157' ' ' TRP . 0.3 OUTLIER -104.04 122.72 45.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.413 ' HB1' ' CZ ' ' A' ' 139' ' ' PHE . . . -96.69 140.74 30.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.431 ' CZ2' ' CD2' ' A' ' 155' ' ' PHE . 24.3 m95 -136.6 158.52 44.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -120.52 141.31 50.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -134.37 126.2 29.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.27 128.72 53.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.33 120.2 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.28 175.05 8.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 tp -125.17 144.32 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.18 78.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -176.29 104.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -133.32 -75.02 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -134.42 148.16 50.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 168' ' ' HIS . 1.6 p80 -148.72 145.35 27.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -77.14 140.36 40.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 17.1 m170 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.885 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.875 0.369 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -133.17 -174.92 3.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.38 -56.05 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.722 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.06 -28.69 62.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.636 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.98 -40.48 66.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -30.81 65.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 ttt -75.76 -33.72 60.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -53.56 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -64.86 -31.41 72.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -64.74 -31.0 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -57.21 -36.39 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.76 -40.43 95.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -64.09 -34.66 78.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.409 HG21 ' CD1' ' A' ' 18' ' ' TRP . 31.9 mm -70.52 -34.12 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.062 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.15 83.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.072 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -65.89 -47.93 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.5 p -60.37 -35.26 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.409 ' CD1' HG21 ' A' ' 14' ' ' ILE . 2.2 m95 -60.12 -52.3 65.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -164.94 80.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.76 111.06 47.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -51.76 138.1 50.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.421 2.081 . . . . 0.0 112.405 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -155.16 78.38 1.03 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -90.69 149.55 22.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -103.91 105.2 15.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.14 134.02 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.61 147.82 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 159' ' ' ARG . 8.0 m-85 -138.99 135.09 33.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 pt -156.02 132.92 6.27 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.69 166.63 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.471 2.114 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.73 -63.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.3 mt -136.03 124.37 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.7 t -123.3 163.14 21.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -86.04 121.98 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.3 131.08 34.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.68 168.29 9.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.32 -28.21 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -84.41 56.96 4.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.03 -175.94 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -73.77 85.39 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -124.43 126.62 46.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -123.19 -74.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -168.08 -59.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 32.61 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.07 31.8 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -121.45 76.87 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.99 -60.03 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.65 160.18 42.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -74.87 165.02 25.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.07 157.83 16.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.87 89.67 8.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.71 155.37 5.59 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.544 2.163 . . . . 0.0 112.352 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.16 30.34 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.09 155.06 39.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -118.83 147.86 18.41 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.0 146.37 17.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.625 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -152.18 166.45 31.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.771 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.99 157.57 28.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.726 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -127.08 146.99 50.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.769 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.75 150.72 20.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.026 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -159.47 160.93 35.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -126.08 137.45 53.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.29 136.99 37.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -52.99 -22.68 5.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.556 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -90.4 35.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.666 0.27 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 53.03 43.62 62.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.628 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -122.03 161.06 23.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 111.043 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.13 125.18 49.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -118.38 159.92 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.42 130.38 2.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.9 163.42 22.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.668 0.27 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 4.3 m-85 -119.98 118.78 31.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.604 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 85' ' ' ILE . . . -122.53 109.85 14.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.2 mtt -143.48 169.88 16.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 111.247 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.32 129.96 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -106.62 114.17 28.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.999 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 98.31 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.844 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.63 179.76 5.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.7 m -80.57 -2.89 48.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.371 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -135.77 -47.53 0.67 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -60.66 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.811 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -125.93 165.38 18.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -66.84 132.14 47.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -132.98 98.85 15.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.88 156.45 56.58 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.451 2.101 . . . . 0.0 112.281 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 4.2 mp -137.38 127.6 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.25 117.68 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.569 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.18 -156.09 7.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.929 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -157.04 138.29 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.741 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.66 155.88 17.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.583 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -115.83 116.82 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -145.72 168.08 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -129.87 113.23 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 p -95.15 135.69 36.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -135.4 113.95 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -96.72 133.96 23.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.48 88.41 1.17 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.52 2.147 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.48 -27.14 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.66 72.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.207 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -167.89 166.81 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 63.24 141.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -94.04 5.12 52.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.407 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.36 114.36 2.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -93.95 135.96 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.3 tp -116.1 154.24 30.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -165.82 139.07 5.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.1 mt -137.72 139.5 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 168.9 -172.0 43.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.58 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -117.32 171.01 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.415 HG21 ' CE1' ' A' ' 71' ' ' TYR . 27.9 p -137.99 117.98 13.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.18 116.85 21.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.55 158.85 27.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.4 m -101.68 145.06 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.4 p -112.91 133.17 55.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.95 126.52 32.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -136.72 170.15 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.93 117.06 28.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.49 -62.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.81 -38.19 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -165.89 -56.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -176.41 58.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 pt -86.76 108.23 17.4 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.38 161.07 46.39 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.456 2.104 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -131.68 100.12 16.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.39 148.19 73.09 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.407 2.071 . . . . 0.0 112.281 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.98 119.93 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.81 129.72 56.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.98 129.46 6.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.46 130.06 12.49 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.496 2.13 . . . . 0.0 112.426 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 pp -150.3 171.39 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -131.29 164.76 24.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.7 m -120.29 129.13 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.05 115.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -133.89 177.94 18.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.682 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -165.89 122.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.613 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 66.4 -134.84 33.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.382 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -86.56 20.87 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.773 2.315 . . . . 0.0 112.967 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 9.4 p -136.57 137.0 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 42.9 m -124.99 145.1 50.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -130.67 143.84 51.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -135.26 122.1 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 8.0 mtt -115.08 146.79 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.021 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 8.9 t -133.32 133.56 42.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . 0.418 ' HB3' ' CE1' ' A' ' 154' ' ' TYR . 13.6 p90 -135.9 133.53 37.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.041 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.3 pt -121.4 91.99 48.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.66 121.95 8.83 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.555 2.17 . . . . 0.0 112.404 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -122.68 -37.42 0.63 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.549 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 4.3 m 63.53 52.78 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.11 177.87 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -59.03 -31.61 68.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -112.58 27.0 10.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.05 172.87 14.74 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 59.81 76.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.65 136.1 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 143' ' ' TYR . 2.5 m-85 -112.43 147.0 37.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.783 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.07 121.09 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -103.17 126.17 50.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.048 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -130.91 128.56 40.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 28.0 mtp -83.01 149.91 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.417 ' HB2' ' CE1' ' A' ' 27' ' ' TYR . 10.4 ttm180 -140.06 148.79 42.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -128.99 146.69 50.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -101.16 124.37 46.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -138.76 121.94 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.48 150.23 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -176.41 102.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -62.68 172.73 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -141.64 -64.56 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.81 37.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -100.8 -39.79 7.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -103.82 -45.31 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 tmm? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.832 0.349 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -148.76 31.08 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.29 -56.15 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -75.99 -28.89 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.75 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -59.51 -32.33 70.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -79.02 -37.18 39.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.2 mtp -66.73 -41.86 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 p -60.48 -32.76 71.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -73.66 -39.63 64.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -36.06 80.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -77.45 -37.95 50.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.13 -39.91 90.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.16 -51.69 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.2 tt -61.56 -43.18 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.06 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.18 80.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -66.86 -52.24 45.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -59.91 -35.77 75.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -71.44 -42.43 68.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -63.4 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.57 126.57 80.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.11 118.41 5.41 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.411 2.074 . . . . 0.0 112.266 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -168.99 90.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -97.47 174.09 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -116.04 99.8 7.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.13 122.65 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.03 149.95 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.416 ' CE2' ' CD ' ' A' ' 159' ' ' ARG . 47.7 m-85 -137.18 120.31 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 tp -144.0 134.23 11.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.49 159.81 52.19 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.462 2.108 . . . . 0.0 112.322 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.39 -52.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.462 HG21 HD12 ' A' ' 31' ' ' ILE . 28.5 mm -112.22 131.45 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.1 p -150.14 148.41 28.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -108.7 134.31 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -96.42 130.86 43.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.85 163.43 4.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -151.91 -46.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -97.25 39.49 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.64 -170.15 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.33 86.54 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -113.99 121.97 45.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -150.23 -67.58 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -95.34 -28.3 15.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -56.15 25.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m 59.86 94.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.47 128.9 43.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -178.19 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.78 80.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -118.08 159.03 23.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.92 150.77 51.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -156.48 88.64 2.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.56 142.75 49.67 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.606 2.204 . . . . 0.0 112.266 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 61.78 156.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.28 96.39 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.416 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.7 151.85 20.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.537 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.4 136.79 13.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -152.09 125.2 8.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.42 -165.21 12.46 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.558 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 pp -142.16 170.09 16.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.445 ' CB ' ' CH2' ' A' ' 67' ' ' TRP . 79.1 p -163.46 174.39 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -153.77 163.51 39.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -106.72 140.58 39.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -95.03 140.1 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -22.92 13.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.437 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -92.99 35.05 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.51 50.22 64.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.594 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.89 159.59 26.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.445 ' CH2' ' CB ' ' A' ' 59' ' ' SER . 4.0 t90 -136.85 108.58 7.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -134.13 152.07 51.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.76 164.19 30.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mt -102.17 165.98 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.701 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -139.12 118.7 13.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.759 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -101.43 109.89 21.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -114.77 137.23 52.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.741 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.76 131.84 53.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.15 117.4 23.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -95.81 129.93 42.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.11 179.65 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 m -76.37 -30.95 57.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -36.02 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.53 118.77 32.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -165.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -55.5 124.44 17.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -106.17 98.88 20.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.63 150.94 28.23 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.563 2.176 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.0 tt -153.76 124.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.04 117.91 31.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.62 135.93 10.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.504 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -92.02 110.03 21.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -96.24 125.78 8.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.95 112.01 18.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -140.36 155.17 46.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -95.06 133.19 39.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.1 146.08 27.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -143.81 143.09 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.748 ' HG2' ' HD2' ' A' ' 99' ' ' ASP . 1.3 mtt85 -96.27 104.08 16.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.69 -172.81 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.386 2.057 . . . . 0.0 112.338 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -48.51 81.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.42 -51.82 68.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.748 ' HD2' ' HG2' ' A' ' 95' ' ' ARG . 8.4 t0 59.73 175.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 64.93 -75.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -88.62 -50.97 5.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.04 134.95 43.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.35 155.94 46.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.1 mt -139.33 163.0 33.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.26 159.06 28.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.53 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.45 140.19 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.17 -160.53 28.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 1.3 m-85 -125.35 163.67 22.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 51.4 m -139.33 112.57 8.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.06 129.25 55.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -145.38 -179.24 21.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.99 150.44 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.98 127.21 44.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.449 ' CB ' ' CD1' ' A' ' 118' ' ' TRP . . . -105.49 138.11 42.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 -153.66 167.49 29.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.5 t70 69.04 -67.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.913 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -137.44 25.72 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.449 ' CD1' ' CB ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER 58.04 34.55 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.008 179.877 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 176.13 -32.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.188 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -45.51 -42.16 10.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.574 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -136.81 92.79 14.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 111.384 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.23 151.03 15.68 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.604 2.203 . . . . 0.0 112.245 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.74 86.92 42.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -61.61 140.0 84.31 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.646 2.23 . . . . 0.0 112.211 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.3 t -150.05 116.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.9 mt -113.02 123.37 50.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.05 137.22 11.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 71.0 Cg_endo -74.5 143.46 30.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.501 2.134 . . . . 0.0 112.409 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.2 mt -137.9 155.21 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -139.05 139.83 37.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.4 t -104.67 114.23 28.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.8 p -144.99 123.02 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 160.22 -140.85 7.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.529 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -119.22 152.57 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.277 . . . . 0.0 110.646 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.473 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -43.55 -50.81 6.83 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.046 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 57.5 Cg_endo -71.97 -26.9 18.04 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.423 2.082 . . . . 0.0 112.778 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 8.3 p -142.02 97.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.0 0.428 . . . . 0.0 111.239 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.6 t -97.64 144.85 26.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -104.79 119.21 38.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -108.28 114.02 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -106.42 138.83 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.2 t -119.57 147.62 44.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.65 105.98 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.963 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.29 130.13 23.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.86 140.04 31.31 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.446 2.097 . . . . 0.0 112.348 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -99.68 -47.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.441 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.13 -49.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -94.29 -178.66 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -86.12 -2.92 58.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.424 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -96.15 27.02 3.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.684 0.278 . . . . 0.0 111.077 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 59.77 170.9 0.46 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -145.15 -47.46 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.6 m -138.28 136.68 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -123.15 142.25 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -108.38 141.82 39.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.94 125.76 54.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 24.4 m0 -131.02 144.6 51.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -103.03 153.14 20.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.416 ' CD ' ' CE2' ' A' ' 27' ' ' TYR . 54.6 mtm180 -130.92 140.01 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -112.13 139.27 47.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -89.94 118.37 29.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.59 140.83 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.15 122.89 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 59.96 173.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 155.88 41.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.55 -41.43 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -75.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -74.44 176.68 6.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -131.78 34.91 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.24 -0.885 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -113.23 -18.02 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.17 -56.16 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.012 0.434 . . . . 0.0 110.811 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.45 -28.86 61.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.588 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -71.25 -29.3 64.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -31.23 71.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtt -71.75 -55.87 6.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.974 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -59.31 -31.3 69.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -67.02 -48.18 69.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.22 -36.76 78.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -67.79 -41.39 83.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.66 -31.68 52.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -68.43 -53.78 21.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.5 tp -60.42 -35.47 63.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.91 -35.09 64.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.66 -34.71 74.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.6 p -73.16 -31.65 64.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -73.32 -31.51 64.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -72.68 -44.91 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -151.66 88.32 4.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.72 165.4 0.75 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.542 2.161 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -65.73 -47.02 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -173.8 161.47 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.92 149.02 23.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -125.52 130.24 51.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.24 126.86 53.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -112.77 128.82 56.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.5 pt -149.47 147.63 23.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.98 111.92 3.28 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.595 2.197 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.19 -61.34 1.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.7 pt -155.05 162.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 t -138.48 169.98 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -86.24 123.09 31.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -118.02 128.61 54.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.92 134.35 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.16 100.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.38 27.35 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.14 -170.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.22 83.96 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.03 110.85 22.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.02 81.23 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -126.68 -49.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -138.99 -73.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.962 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -178.35 -72.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -99.8 -26.87 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 69.17 -68.82 0.17 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.63 126.69 53.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -93.66 157.35 16.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -123.14 158.68 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -111.12 91.43 13.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.09 149.29 76.65 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.492 2.128 . . . . 0.0 112.258 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -142.94 34.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.03 179.48 17.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.594 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.94 164.94 22.43 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.393 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.01 158.05 27.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.676 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -151.97 147.07 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.06 -157.26 8.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 mt -135.99 178.24 7.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -133.72 168.68 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -156.35 148.93 23.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -100.24 127.77 46.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.58 136.83 32.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.84 -23.49 12.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.403 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -92.95 34.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.776 0.322 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.34 40.8 86.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.53 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.05 157.22 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -122.37 99.79 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.98 157.71 16.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.729 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.09 131.59 1.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.833 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.417 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 8.7 tt -98.61 156.63 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.581 0.229 . . . . 0.0 110.578 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 17.0 p90 -146.09 118.65 8.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.781 0.324 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.4 110.03 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 36.7 ttp -116.65 132.71 56.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.81 131.39 55.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 75' ' ' PHE . 15.9 p90 -119.71 138.82 53.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -96.75 129.59 44.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.74 167.05 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -5.3 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.405 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.64 -47.69 0.33 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.936 0.398 . . . . 0.0 110.769 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -75.73 -173.17 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.793 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -102.69 178.34 4.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -61.07 144.26 53.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -131.57 117.34 16.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -81.97 148.12 15.24 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.598 2.199 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.3 mp -142.92 119.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -107.25 117.84 35.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -118.28 135.79 11.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.37 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.417 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 89.0 m-85 -93.01 110.3 21.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 111.005 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -95.74 133.68 11.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.444 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.401 ' CZ3' ' O ' ' A' ' 88' ' ' TYR . 27.0 p90 -132.56 118.11 18.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -145.69 168.02 21.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 m -112.68 106.43 14.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.8 p -95.03 145.5 24.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -138.42 141.53 39.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.1 129.37 28.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.82 -169.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.472 2.115 . . . . 0.0 112.239 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.06 -34.82 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.99 -48.42 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.8 149.07 40.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.016 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -110.35 -31.87 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -59.83 -40.8 89.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 134' ' ' TYR . 1.1 t80 -70.61 143.4 51.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -136.5 151.54 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.8 tt -153.81 119.74 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.52 169.08 27.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.464 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.83 151.47 47.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.3 -147.95 9.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.67 165.17 28.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.1 p -143.87 124.71 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.43 113.96 26.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.04 109.74 3.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.25 132.38 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.0 t -98.94 140.83 32.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.01 -169.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -57.39 171.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 67.15 62.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -149.14 -47.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.803 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.41 ' CD1' HD21 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -122.38 -74.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.785 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -131.43 -42.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -178.34 -35.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.1 pp -82.97 153.6 67.02 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.4 163.01 28.21 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.616 2.211 . . . . 0.0 112.255 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.41 HD21 ' CD1' ' A' ' 118' ' ' TRP . 30.3 tp -128.01 99.57 25.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.34 156.23 41.48 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.545 2.163 . . . . 0.0 112.309 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.3 t -149.97 115.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.94 125.27 40.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.7 mp -142.47 156.63 63.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.79 125.05 12.14 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.689 2.259 . . . . 0.0 112.212 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.73 152.58 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -137.94 168.19 20.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.1 m -139.35 113.98 9.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.09 126.36 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.61 -158.3 20.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.582 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.406 ' HB3' ' CD2' ' A' ' 102' ' ' PHE . 33.9 p90 -170.91 126.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.815 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.95 -131.31 25.5 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.381 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.6 5.07 6.37 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.623 2.215 . . . . 0.0 113.043 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.6 t -112.99 116.75 53.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.809 0.338 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 69.6 m -125.05 115.41 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.015 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.41 ' CZ ' ' HE2' ' A' ' 158' ' ' MET . 32.0 m-85 -109.12 118.24 36.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -103.95 131.33 51.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.009 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 9.5 mmt -85.05 135.07 34.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.66 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.9 m -128.65 142.68 50.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.57 160.65 40.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -124.45 91.78 49.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.03 125.5 13.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.696 2.264 . . . . 0.0 112.23 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -135.23 46.61 1.03 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 11.3 m 58.26 21.84 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.736 0.303 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 62.16 16.15 8.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.377 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -110.17 -51.06 2.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.969 0.414 . . . . 0.0 110.788 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -113.63 -25.03 8.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.027 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -92.34 127.77 9.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.565 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -179.45 38.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.79 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.9 t -118.17 141.71 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -105.81 147.13 28.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -137.67 129.92 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.23 122.05 46.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.54 144.67 41.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' MET . . . . . 0.41 ' HE2' ' CZ ' ' A' ' 139' ' ' PHE . 1.2 mtt -103.0 137.29 41.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -129.27 126.57 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.91 142.71 51.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.58 120.12 31.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -109.96 144.55 38.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 mp -144.04 141.46 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 60.35 -178.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 2.4 t60 62.4 118.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -105.39 109.05 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.17 -175.85 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -143.41 35.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -167.64 -43.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.929 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mtt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.914 0.388 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -109.39 31.63 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.08 -56.15 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -28.9 57.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.11 -39.09 92.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -62.49 -40.83 97.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.6 mtm -64.48 -39.03 93.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -63.1 -31.94 73.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 -38.06 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.12 -43.08 58.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -30.96 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -31.34 67.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -78.19 -46.6 20.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.78 -37.93 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.79 98.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -67.37 -42.0 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.7 p -62.35 -46.18 89.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -66.28 -33.56 76.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -28.98 57.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -64.93 112.0 7.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.47 169.61 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.427 2.085 . . . . 0.0 112.287 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -99.46 -46.09 5.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -136.81 168.51 19.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.37 108.73 15.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.57 147.03 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mp -117.4 147.18 42.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -128.79 117.74 21.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.9 mm -140.2 138.82 19.74 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.26 149.19 23.02 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.452 2.101 . . . . 0.0 112.248 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.08 -69.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.046 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.6 pt -158.36 170.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.402 ' OG1' ' CE2' ' A' ' 155' ' ' PHE . 2.2 t -155.06 147.73 24.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -96.18 121.99 38.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -114.8 140.86 48.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.792 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.38 161.46 37.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -135.31 -58.45 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -161.78 -50.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.62 152.35 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.73 87.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 166.06 12.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -136.12 -65.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -176.56 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.74 27.69 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.022 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m 57.33 40.63 27.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -50.05 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.43 -173.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 59.72 59.41 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -113.41 166.13 11.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -111.44 136.15 51.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -106.6 88.3 3.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.93 101.57 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.584 2.189 . . . . 0.0 112.279 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -71.27 134.7 47.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.5 -179.15 41.73 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.423 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.41 -168.89 25.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.57 -144.08 6.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.546 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -130.89 173.9 10.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.39 164.58 29.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.543 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.19 168.03 19.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 m -142.15 169.36 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.34 144.32 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -110.95 119.96 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.406 ' HB2' ' CB ' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -100.08 137.03 39.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -22.87 6.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.572 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 35.07 0.92 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.12 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.39 47.55 68.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.849 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' CB ' ' HB2' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -121.98 111.31 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.928 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -97.98 93.07 6.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.403 ' CE1' ' HB3' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -78.79 162.83 25.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.76 141.62 6.47 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.79 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -132.36 166.22 22.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 179.862 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 10.1 p90 -152.09 118.49 5.63 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.613 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.07 109.95 21.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 38.6 mtp -119.84 156.15 31.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -121.74 130.25 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -109.58 131.64 54.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -111.65 118.31 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.71 -175.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.7 m -69.58 -34.83 74.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -103.62 -73.94 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -166.54 105.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -162.22 88.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -73.02 130.38 40.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.22 98.76 4.3 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.07 160.05 40.37 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.517 2.145 . . . . 0.0 112.39 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.4 pp -149.69 119.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -115.94 122.93 46.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.61 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.492 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -103.55 164.44 15.5 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.979 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.403 ' CZ ' HD12 ' A' ' 70' ' ' LEU . 7.4 m-85 -156.08 130.92 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.693 0.282 . . . . 0.0 110.807 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.61 174.73 42.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.606 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.403 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 70.6 p-90 -126.82 146.38 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 110.839 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -143.65 157.9 44.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 m -102.79 125.07 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.1 p -80.5 139.22 36.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -133.95 115.27 14.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.407 ' HD2' ' CE1' ' A' ' 103' ' ' HIS . 1.1 ttt180 -133.66 141.58 40.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.01 168.22 21.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.534 2.156 . . . . 0.0 112.289 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.61 -40.39 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.21 71.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 60.43 84.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.8 -176.66 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -62.22 -32.01 72.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.35 124.45 20.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.407 ' CE1' ' HD2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -123.38 137.81 54.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.7 139.15 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -153.76 125.55 1.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mp -127.93 133.57 49.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.13 179.31 48.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 4.4 m-85 -104.53 154.81 19.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.7 p -139.49 142.5 37.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.88 114.01 27.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -86.33 109.67 3.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.28 117.15 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 26.2 m -99.04 148.91 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.04 175.86 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -87.19 153.13 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -132.2 -63.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -143.58 31.71 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -95.3 -71.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -174.79 -73.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -176.43 37.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -135.41 116.97 12.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 162.87 1.81 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.398 2.065 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.0 tt -114.89 86.99 14.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.83 160.38 48.03 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.537 2.158 . . . . 0.0 112.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.56 116.0 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.038 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.0 114.06 21.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.019 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.04 144.52 17.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 53.2 Cg_endo -69.28 142.84 51.2 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.517 2.144 . . . . 0.0 112.337 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.67 131.33 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -105.72 163.32 12.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -144.92 124.85 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.45 129.51 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.763 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -109.21 140.85 15.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.772 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -158.13 111.79 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.175 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.49 -136.56 50.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.891 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -89.77 29.89 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.792 2.328 . . . . 0.0 112.664 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.24 136.99 29.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.919 0.39 . . . . 0.0 111.406 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.13 119.9 29.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.662 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -104.09 144.08 32.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -130.47 130.4 44.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.3 ttm -120.23 129.98 54.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 11.4 t -117.32 151.82 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.169 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 154' ' ' TYR . 4.1 m-85 -132.86 132.76 42.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.94 103.48 44.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.216 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.19 169.86 1.88 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.512 2.141 . . . . 0.0 112.184 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 154.66 -177.87 31.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.616 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 64.8 p -88.61 54.41 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 64.14 -77.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -57.54 -28.03 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.071 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.34 26.99 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.071 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 168.35 -124.01 1.15 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.407 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.5 t30 61.24 32.97 19.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 12.3 p -134.05 154.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.418 ' HB3' ' CE1' ' A' ' 143' ' ' TYR . 20.9 p90 -134.03 146.86 50.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.402 ' CE2' ' OG1' ' A' ' 32' ' ' THR . 5.9 m-85 -116.5 161.04 19.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.782 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -112.6 160.33 17.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -152.4 132.88 13.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 26.6 mtt -99.83 138.68 36.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -130.36 136.62 49.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.05 135.13 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.772 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -94.77 121.69 36.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.99 135.41 37.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.6 mp -127.06 155.49 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.34 125.84 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -138.11 -47.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -107.3 31.61 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -105.18 134.0 49.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 142.72 54.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -79.99 172.2 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.856 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.753 0.311 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -69.83 -31.07 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.2 ttt -72.37 -55.06 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -58.19 -30.79 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.27 -46.23 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD2' HD11 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -76.0 -44.88 37.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -30.22 67.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.029 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.93 -36.11 67.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.037 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 17' ' ' THR . 12.6 t30 -78.94 -36.68 41.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.625 HD11 ' CD2' ' A' ' 10' ' ' PHE . 15.4 mt -78.08 -36.0 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.261 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.12 64.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.272 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.91 -28.05 61.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.092 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 13' ' ' ASN . 19.0 p -81.07 -25.12 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.27 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -95.76 -28.45 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.242 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.086 -179.783 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.817 0.342 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -110.65 147.49 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -77.08 107.67 9.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.11 154.7 17.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 pp -149.84 133.35 16.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD1' ' HA3' ' A' ' 55' ' ' GLY . 24.8 p90 -127.5 159.83 33.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 29' ' ' PRO . 2.6 pp -154.33 158.72 32.38 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.51 ' O ' HD12 ' A' ' 28' ' ' ILE . 61.3 Cg_exo -51.76 148.01 23.11 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.555 2.17 . . . . 0.0 112.367 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.31 -65.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.749 HG13 ' HB3' ' A' ' 156' ' ' ALA . 21.3 pt -153.75 132.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 t -133.79 155.78 49.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.7 m0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -118.81 132.94 9.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.439 ' HA3' ' CD1' ' A' ' 27' ' ' TYR . . . -101.36 140.81 15.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.53 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -152.02 174.17 13.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.716 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.88 179.59 29.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.643 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -140.36 170.73 15.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -141.15 159.75 41.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -140.36 164.71 29.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -127.94 147.72 50.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' HB2' ' HB3' ' A' ' 66' ' ' ASN . 6.5 t0 -119.21 141.43 48.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.03 -20.73 26.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.382 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -92.08 34.99 0.99 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.744 0.307 . . . . 0.0 111.175 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.47 46.97 91.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.627 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB3' ' HB2' ' A' ' 62' ' ' ASP . 3.5 t-20 -117.32 148.47 41.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.431 ' CE3' HG21 ' A' ' 93' ' ' THR . 19.3 t-105 -126.48 101.1 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.05 134.85 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.587 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -122.01 112.93 2.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.716 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 87' ' ' GLY . 4.3 mm? -124.93 130.98 53.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.657 0.265 . . . . 0.0 110.655 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CE2' HG21 ' A' ' 109' ' ' THR . 23.2 m-85 -114.84 152.37 32.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.969 0.414 . . . . 0.0 110.971 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.38 109.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.622 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.403 ' HG3' ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -154.08 175.63 13.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.94 130.84 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.999 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -111.46 144.31 40.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -106.89 133.52 51.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -91.32 170.02 10.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.5 p -66.92 -30.68 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.424 ' CH2' ' HG3' ' A' ' 81' ' ' LYS . 54.3 p-90 -100.52 31.37 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.09 109.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HG3' ' CH2' ' A' ' 79' ' ' TRP . 0.0 OUTLIER -175.81 118.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -94.32 122.92 37.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -107.68 98.74 25.85 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.874 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 73.9 Cg_endo -77.51 134.22 13.68 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.555 2.17 . . . . 0.0 112.339 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.556 ' CD1' HG23 ' A' ' 113' ' ' THR . 19.5 mm -124.76 138.78 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . . . -138.15 121.1 16.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.726 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -103.9 151.75 17.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.463 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.421 ' HD2' HD11 ' A' ' 70' ' ' LEU . 50.4 t80 -157.25 114.75 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.817 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.23 -161.98 22.78 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.56 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -128.63 144.9 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.736 0.303 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -137.46 148.1 45.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -110.27 105.31 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.431 HG21 ' CE3' ' A' ' 67' ' ' TRP . 3.4 t -104.37 127.68 52.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -94.8 142.45 27.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 -108.25 146.56 33.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.12 -167.75 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.536 2.158 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mp -93.12 -73.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.32 -52.07 25.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -66.75 -177.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.06 -45.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -59.24 -44.32 92.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -62.71 117.58 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -125.86 143.96 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 105' ' ' GLY . 1.7 tt -144.33 127.09 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.571 ' N ' HD23 ' A' ' 104' ' ' LEU . . . -179.32 -174.47 45.43 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 105' ' ' GLY . 5.3 mp -144.76 170.9 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.24 -167.04 31.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -134.2 126.04 29.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.492 HG21 ' CE2' ' A' ' 71' ' ' TYR . 3.2 m -127.88 140.4 52.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.7 113.99 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.737 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -92.71 141.29 15.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 86' ' ' ALA . 35.5 m -115.86 117.8 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.556 HG23 ' CD1' ' A' ' 85' ' ' ILE . 2.3 m -99.08 111.83 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.874 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.265 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.658 0.266 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.98 121.59 7.73 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.563 2.176 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mt -128.0 140.78 39.19 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.55 160.82 25.28 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.63 2.22 . . . . 0.0 112.394 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 111' ' ' GLY . 28.8 m -150.09 142.65 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mt -94.26 127.85 40.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.592 HD11 HG22 ' A' ' 144' ' ' ILE . 4.4 tp -149.95 117.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 143' ' ' TYR . 72.9 Cg_endo -76.13 135.14 16.73 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.435 2.09 . . . . 0.0 112.371 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.578 HD23 ' OG1' ' A' ' 142' ' ' THR . 3.3 mp -131.24 177.75 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -146.74 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.1 m -126.9 117.64 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 132' ' ' VAL . 11.6 p -145.08 117.6 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.24 -169.68 38.01 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -165.41 120.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.764 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.7 -130.21 22.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.38 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -79.71 2.16 8.62 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.596 2.197 . . . . 0.0 112.877 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.4 t -110.82 98.94 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.853 0.359 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 88.8 m -111.39 126.76 55.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.623 ' HE1' ' HB1' ' A' ' 156' ' ' ALA . 0.2 OUTLIER -106.3 123.45 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.95 116.78 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 7.2 mtt -110.33 149.22 30.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.578 ' OG1' HD23 ' A' ' 129' ' ' LEU . 65.5 m -157.0 121.11 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' TYR . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 128' ' ' PRO . 9.1 p90 -112.76 156.36 22.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.592 HG22 HD11 ' A' ' 127' ' ' LEU . 2.0 pt -129.25 91.99 40.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--N 1.345 0.355 0 C-N-CA 122.626 2.217 . . . . 0.0 112.345 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 154' ' ' TYR . 21.4 t -108.0 157.09 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.443 ' N ' HG12 ' A' ' 153' ' ' VAL . 86.2 m-85 -127.46 142.76 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -121.06 147.3 45.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.749 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -139.39 126.13 20.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.47 ' CD1' ' HA ' ' A' ' 29' ' ' PRO . 22.6 m0 -137.6 159.49 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.4 mtt -85.85 150.33 24.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -143.85 133.31 23.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -128.7 143.38 50.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -100.27 110.95 23.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -131.82 172.74 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 37.7 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.802 0.334 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.765 ' O ' HG22 ' A' ' 9' ' ' THR . 0.7 OUTLIER -73.11 -29.89 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 ttm -77.85 -28.98 50.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -57.24 -44.01 83.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 6' ' ' TRP . 11.0 t -59.78 -29.99 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -42.0 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.698 ' HA ' HD12 ' A' ' 14' ' ' ILE . 6.0 ttm-85 -63.36 -37.03 85.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -35.17 75.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -62.55 -42.63 99.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 11' ' ' ARG . 4.7 mt -64.46 -42.0 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.95 86.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -69.34 -38.07 77.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 p -71.47 -36.5 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -65.92 -35.17 79.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.817 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.871 0.367 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -127.83 161.62 28.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -120.91 98.48 6.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -93.02 120.82 33.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 56' ' ' PHE . 3.5 mm? -102.32 135.16 44.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.423 ' CD1' ' HG2' ' A' ' 159' ' ' ARG . 10.0 m-85 -125.8 138.95 53.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pp -155.3 154.44 28.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.68 135.02 31.94 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.593 2.196 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.68 -75.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.676 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 1.3 tt -147.57 142.37 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.668 HG21 ' CE2' ' A' ' 155' ' ' PHE . 4.3 t -139.06 174.28 10.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.24 129.14 9.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -102.21 144.55 16.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.595 ' HB2' ' HB3' ' A' ' 72' ' ' ALA . 69.7 m-85 -152.06 173.96 14.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.735 0.303 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.17 159.64 29.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.549 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 59' ' ' SER . 7.7 tt -115.05 138.46 50.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.309 . . . . 0.0 110.768 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.625 ' O ' HD23 ' A' ' 58' ' ' LEU . 11.0 t -90.35 153.53 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.033 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.76 159.85 30.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -137.53 144.15 41.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -109.06 141.41 41.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -23.56 9.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.421 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -93.1 35.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.676 0.275 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.81 50.91 58.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.557 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -122.08 161.08 23.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.913 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.11 121.03 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -121.39 162.87 19.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.05 158.87 25.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.549 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.68 HD21 ' CZ ' ' A' ' 88' ' ' TYR . 7.4 mp -108.9 166.04 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 110.69 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 3.0 m-85 -116.96 118.75 33.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.779 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 56' ' ' PHE . . . -114.49 109.84 18.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.877 ' HB3' HD13 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -123.36 152.66 41.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.81 130.01 14.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -111.5 121.83 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 118.96 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.8 -174.95 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.8 p -81.02 -35.04 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -178.16 38.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -109.3 -77.58 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -178.74 151.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 82' ' ' TRP . 1.3 m95 -77.42 151.06 34.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.96 98.81 51.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.638 ' C ' HD12 ' A' ' 85' ' ' ILE . 86.3 Cg_endo -83.08 155.65 14.88 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.616 2.21 . . . . 0.0 112.424 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.877 HD13 ' HB3' ' A' ' 73' ' ' MET . 5.1 mp -147.12 132.58 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.11 117.9 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.18 -172.76 12.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.824 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.68 ' CZ ' HD21 ' A' ' 70' ' ' LEU . 47.4 m-85 -143.94 114.3 7.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.706 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -110.85 146.25 17.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.65 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -115.08 111.9 21.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.74 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -124.77 163.37 22.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t -142.02 107.86 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.7 t -84.68 145.77 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -144.49 129.86 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -85.2 126.56 67.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.68 -168.26 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.413 2.075 . . . . 0.0 112.275 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.1 tp -98.54 -31.03 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.19 -51.36 25.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.55 155.81 20.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -108.15 -58.01 2.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -64.15 -37.92 89.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -72.66 114.01 10.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -113.87 136.12 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.654 ' HG ' HG12 ' A' ' 132' ' ' VAL . 2.8 tt -118.66 119.8 35.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -131.77 178.94 17.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.612 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 2.9 mt -149.27 156.57 42.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.54 -164.14 33.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 108' ' ' PHE . 3.8 m-85 -136.21 170.95 15.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.76 0.314 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.626 ' OG1' HD21 ' A' ' 129' ' ' LEU . 80.6 p -142.76 129.71 20.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.546 ' CB ' HD23 ' A' ' 126' ' ' LEU . . . -134.43 114.77 13.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -136.38 -173.02 12.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.47 136.63 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.337 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.4 p -111.84 128.68 56.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.423 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.662 0.268 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.24 162.99 1.77 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.47 2.113 . . . . 0.0 112.378 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.37 104.84 53.1 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.792 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.28 155.66 68.52 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.419 2.079 . . . . 0.0 112.37 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 127' ' ' LEU . 12.3 p -145.0 135.02 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.627 ' C ' HD12 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -146.88 120.38 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.627 HD12 ' C ' ' A' ' 126' ' ' LEU . 4.9 mp -149.95 146.86 21.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.408 ' HB3' ' CD2' ' A' ' 108' ' ' PHE . 65.7 Cg_endo -73.76 153.01 48.15 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.53 2.153 . . . . 0.0 112.409 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.626 HD21 ' OG1' ' A' ' 109' ' ' THR . 0.4 OUTLIER -169.1 150.3 4.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.612 ' HB2' ' CD2' ' A' ' 106' ' ' LEU . . . -107.0 179.96 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -150.73 136.39 18.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.654 HG12 ' HG ' ' A' ' 104' ' ' LEU . 30.0 m -139.22 115.88 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -98.82 153.16 19.8 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.614 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -155.98 111.95 3.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.45 -133.26 51.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.111 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -88.07 23.56 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.715 2.276 . . . . 0.0 112.842 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.1 m -142.12 143.82 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.904 0.383 . . . . 0.0 111.184 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 91.5 m -124.99 132.81 53.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.85 144.0 37.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.52 144.16 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.3 mmt -133.29 130.39 38.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.7 t -120.22 152.05 38.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -130.9 137.03 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.03 91.95 37.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 C--N 1.345 0.345 0 C-N-CA 122.507 2.138 . . . . 0.0 112.282 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.4 t30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 32.6 t -114.14 151.51 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -126.73 144.52 50.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.668 ' CE2' HG21 ' A' ' 32' ' ' THR . 7.0 m-85 -117.8 133.05 56.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -94.32 123.33 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.96 134.54 54.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.9 136.52 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.423 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 50.4 mtp180 -122.62 139.31 54.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -119.46 145.39 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.82 114.29 27.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.56 148.63 39.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.845 0.355 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -34.33 77.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 mmt -79.01 -33.25 45.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.7 p -66.48 -36.9 83.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -60.12 -33.58 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.73 -32.07 72.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -31.83 69.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -74.49 -40.01 62.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.46 -54.24 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 15' ' ' ALA . 2.6 pp -59.64 -37.17 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' N ' HD12 ' A' ' 14' ' ' ILE . . . -63.5 -37.32 86.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -64.78 -53.39 47.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -64.12 -31.22 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -164.1 160.88 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 1.3 m-85 -100.72 126.4 47.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -92.3 137.73 32.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.12 127.63 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 43.2 m-85 -118.65 127.48 53.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.682 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -139.87 151.75 66.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.31 116.05 2.58 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.62 2.214 . . . . 0.0 112.332 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.76 -58.89 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 5.7 tt -165.29 134.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.665 HG22 ' CD1' ' A' ' 155' ' ' PHE . 0.8 OUTLIER -108.25 172.7 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.92 175.64 13.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.11 -148.31 13.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.552 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.749 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 3.0 p90 -138.34 174.05 10.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.54 -175.71 35.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.563 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.443 ' CD2' ' CE1' ' A' ' 24' ' ' TYR . 3.5 mm? -116.84 147.27 42.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 p -148.17 133.57 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.0 mtm-85 -129.87 121.12 26.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.78 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -100.02 140.23 34.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -111.06 146.69 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.62 -19.11 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.491 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -90.56 35.21 0.88 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.645 0.26 . . . . 0.0 111.291 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.76 51.38 57.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.647 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -122.03 139.79 53.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 110.922 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.438 ' HZ3' ' HG ' ' A' ' 131' ' ' SER . 2.8 t90 -137.98 90.02 2.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.408 ' CD2' ' NE1' ' A' ' 90' ' ' TRP . 21.9 t-160 -113.71 131.69 56.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.57 154.33 21.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.73 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 88' ' ' TYR . 5.2 mp -90.02 166.04 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.84 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 45.4 m-85 -133.47 118.86 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.77 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -107.71 110.3 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -133.54 161.62 34.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.33 130.13 24.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.66 158.19 18.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -99.41 135.55 40.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.72 176.54 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.1 t -63.77 -31.9 73.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -88.68 -78.43 0.34 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -178.65 61.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -134.82 154.4 51.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -102.09 155.0 18.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -136.95 102.0 9.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.11 152.76 79.38 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.343 2.029 . . . . 0.0 112.144 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 113' ' ' THR . 30.4 mt -144.94 142.51 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.315 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -137.96 117.89 13.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.568 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.41 ' CA ' ' HA3' ' A' ' 111' ' ' GLY . . . -139.51 143.66 14.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.949 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.421 ' CD2' ' HG ' ' A' ' 70' ' ' LEU . 76.5 m-85 -93.87 131.08 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.745 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -113.62 134.13 11.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.408 ' NE1' ' CD2' ' A' ' 68' ' ' HIS . 12.9 m95 -122.21 111.85 17.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.829 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -135.31 158.87 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.2 m -109.46 124.89 51.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.422 ' HB ' ' CE1' ' A' ' 103' ' ' HIS . 53.0 p -81.5 131.93 35.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -132.94 120.65 21.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.78 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -113.37 137.04 21.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 51.2 Cg_exo -53.95 -171.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.496 2.13 . . . . 0.0 112.299 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.495 ' H ' HD12 ' A' ' 97' ' ' LEU . 1.2 mp -82.8 -31.39 28.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.03 -27.08 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 t0 64.14 81.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -132.17 -176.95 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -57.52 -30.78 65.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.79 98.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.422 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 5.8 t-160 -104.75 150.24 24.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 mp -146.02 119.96 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -134.37 175.26 20.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.428 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 tt -160.59 152.21 19.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.68 -148.01 9.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -139.0 171.0 14.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.341 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.686 HG21 HD12 ' A' ' 129' ' ' LEU . 2.9 t -138.84 114.54 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.509 ' HB2' ' HG ' ' A' ' 126' ' ' LEU . . . -124.42 116.72 23.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.055 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.41 ' HA3' ' CA ' ' A' ' 87' ' ' GLY . . . -148.82 -175.88 21.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.527 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.0 m -120.12 152.55 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.656 HG23 HG12 ' A' ' 85' ' ' ILE . 11.4 m -118.8 146.74 44.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.689 0.28 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.3 158.16 48.93 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.454 2.103 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.581 HD23 HG13 ' A' ' 125' ' ' VAL . 2.9 tt -113.85 89.03 15.21 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.802 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.13 135.91 38.92 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.463 2.109 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.581 HG13 HD23 ' A' ' 123' ' ' LEU . 14.8 m -150.01 124.76 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.509 ' HG ' ' HB2' ' A' ' 110' ' ' ALA . 7.0 tt -112.89 126.6 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.567 ' CD2' HG23 ' A' ' 144' ' ' ILE . 3.5 mp -146.19 152.76 47.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.24 148.47 68.54 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.554 2.169 . . . . 0.0 112.294 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.686 HD12 HG21 ' A' ' 109' ' ' THR . 0.5 OUTLIER -151.94 130.0 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -100.18 167.12 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.438 ' HG ' ' HZ3' ' A' ' 67' ' ' TRP . 8.8 t -142.74 136.02 28.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.591 HG23 ' HB2' ' A' ' 139' ' ' PHE . 5.4 m -145.01 115.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.03 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.07 144.31 17.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.551 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -153.72 111.89 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.2 -134.18 52.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.094 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -88.62 27.79 0.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.717 2.278 . . . . 0.0 112.866 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 5.9 m -142.08 148.36 20.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.936 0.398 . . . . 0.0 111.341 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.09 118.2 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.765 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.591 ' HB2' HG23 ' A' ' 132' ' ' VAL . 5.0 m-85 -95.47 144.1 26.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -143.04 119.2 10.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.9 mtp -98.88 145.4 27.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 25.5 m -131.03 122.73 27.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -101.82 136.37 41.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.567 HG23 ' CD2' ' A' ' 127' ' ' LEU . 4.6 mt -127.45 91.97 44.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--N 1.345 0.392 0 C-N-CA 122.521 2.147 . . . . 0.0 112.346 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 6.8 t30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.454 HG23 ' HB ' ' A' ' 144' ' ' ILE . 15.6 m -139.55 126.83 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -107.23 133.61 51.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.665 ' CD1' HG22 ' A' ' 32' ' ' THR . 21.6 m-85 -128.74 138.01 51.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -106.13 140.69 38.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -133.26 122.49 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -87.27 154.67 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 27.5 ttt-85 -135.21 144.63 47.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -139.88 143.08 36.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.06 111.32 22.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -123.63 164.99 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.465 HD23 ' H ' ' A' ' 163' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.594 ' O ' HG22 ' A' ' 9' ' ' THR . 2.5 tm-20 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.817 0.342 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.63 -30.83 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.8 mmt -74.63 -31.1 61.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.6 p -73.65 -51.62 16.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 5' ' ' GLU . 2.2 t -59.68 -31.25 69.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -34.05 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -31.25 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -73.06 -31.16 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.53 -54.9 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 pt -59.79 -30.73 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.47 -41.95 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -63.19 -48.43 78.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -61.9 -30.97 71.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -80.52 -30.26 37.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.998 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.737 0.303 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.41 144.99 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -71.01 125.74 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -100.93 114.05 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tp -99.98 138.49 36.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -137.12 124.87 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 tp -156.0 133.28 6.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.76 146.04 47.49 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.453 2.102 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.73 -49.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.581 ' HB ' ' HB3' ' A' ' 156' ' ' ALA . 3.8 mp -109.59 137.72 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.475 HG23 ' CE1' ' A' ' 155' ' ' PHE . 12.4 m -154.61 110.44 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.29 176.7 41.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.04 -149.74 13.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.739 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 30.2 p90 -136.06 173.99 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.39 -158.93 12.13 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.495 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.5 mt -141.03 164.79 29.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.1 p -163.01 163.26 26.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -144.22 -175.94 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -127.76 128.25 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.39 146.54 28.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -53.01 -22.62 5.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.493 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -90.89 35.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.753 0.311 . . . . 0.0 111.223 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.08 49.53 58.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.682 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -122.04 161.0 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -132.2 109.49 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 90' ' ' TRP . 0.2 OUTLIER -126.89 136.88 52.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.82 149.33 14.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.634 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.54 HD23 ' H ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -81.92 164.77 21.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.738 0.304 . . . . 0.0 110.813 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 5.8 m-85 -138.46 118.87 13.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.797 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -98.7 114.58 27.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.6 mtp -127.72 169.34 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -147.1 131.66 17.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -108.08 137.96 45.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.81 125.82 35.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -87.43 174.88 8.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.2 p -65.88 -30.9 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -72.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 179.55 -38.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -56.54 126.34 26.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -102.08 155.0 18.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.758 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.717 ' OE2' HG21 ' A' ' 113' ' ' THR . 7.6 pt-20 -114.18 121.22 36.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.631 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 57.9 Cg_endo -71.43 153.21 60.98 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.429 2.086 . . . . 0.0 112.181 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mt -137.33 120.01 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.282 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -124.42 117.86 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.66 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.7 141.33 9.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.914 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.43 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 23.0 m-85 -91.94 125.42 36.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 110.682 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.04 133.09 11.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.433 ' CD1' ' HB3' ' A' ' 68' ' ' HIS . 18.8 m-90 -113.85 115.61 28.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.749 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -138.16 155.34 48.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.98 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 m -117.24 108.31 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.2 m -75.83 137.68 40.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -118.33 143.99 46.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.83 112.01 30.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -51.59 -178.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.436 2.09 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -29.74 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.49 -29.69 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.11 88.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -146.68 176.05 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -60.05 -36.7 77.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.86 127.22 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.55 156.02 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.54 128.39 18.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.24 175.78 21.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -129.51 145.58 51.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.46 175.91 46.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.562 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 128' ' ' PRO . 7.6 m-85 -119.87 169.76 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.356 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 73.5 m -134.54 108.95 8.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.67 122.97 48.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.33 -164.2 10.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.2 t -149.92 142.81 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.067 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.717 HG21 ' OE2' ' A' ' 83' ' ' GLU . 4.6 m -101.06 119.31 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.631 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.8 mt . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.666 0.269 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.74 159.85 6.35 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.533 2.155 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 tp -138.99 94.08 10.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.21 144.69 63.73 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.487 2.125 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.7 t -147.37 141.62 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -119.23 142.05 48.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.895 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 126' ' ' LEU . 3.3 mp -147.98 117.03 4.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.42 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 64.6 Cg_endo -73.45 146.97 40.44 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.488 2.125 . . . . 0.0 112.343 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.4 pp -164.55 167.88 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.525 ' HB2' HD22 ' A' ' 106' ' ' LEU . . . -130.73 139.0 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 m -94.36 116.65 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.8 p -144.96 128.81 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.064 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.14 -155.21 11.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.547 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -144.77 112.02 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.974 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.59 -117.14 10.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.703 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.11 -17.57 27.98 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.483 2.122 . . . . 0.0 112.652 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.1 t -86.04 117.94 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 0.0 111.096 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.9 m -124.95 108.94 12.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -105.42 117.79 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.54 123.24 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 16.3 mtt -106.08 130.31 54.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.89 151.72 26.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -108.11 138.33 44.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.461 ' O ' ' ND2' ' A' ' 152' ' ' ASN . 3.9 mt -120.96 91.96 48.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo . . . . . 0 C--N 1.346 0.424 0 C-N-CA 122.49 2.127 . . . . 0.0 112.363 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ASN . . . . . 0.54 ' N ' HD21 ' A' ' 152' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.427 ' O ' HD12 ' A' ' 144' ' ' ILE . 21.3 t -120.18 131.99 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -108.64 144.83 35.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.475 ' CE1' HG23 ' A' ' 32' ' ' THR . 0.1 OUTLIER -125.99 137.41 53.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.581 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . . . -118.21 143.65 46.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -140.47 123.36 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 8.5 mtm -90.91 130.67 36.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -126.09 133.98 51.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -134.54 146.99 50.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 134.14 45.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.62 125.14 45.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.856 0.36 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -66.39 -31.2 71.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.0 mtm -78.31 -33.14 49.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -64.26 -47.27 80.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -42.88 99.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.67 -31.44 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.73 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.95 -37.27 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.76 -42.69 97.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.64 -34.49 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.15 73.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -76.76 -45.89 27.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -30.5 70.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.75 -34.2 66.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.807 0.336 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.21 167.44 20.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -122.22 114.66 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -112.19 167.17 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.456 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -120.9 128.33 52.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -105.63 124.56 49.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.456 HD11 HD23 ' A' ' 26' ' ' LEU . 4.0 mp -141.63 136.09 15.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 28' ' ' ILE . 37.1 Cg_endo -65.76 116.41 3.94 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.425 2.084 . . . . 0.0 112.282 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.76 -76.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.42 ' H ' ' HB3' ' A' ' 156' ' ' ALA . 28.0 pt -150.98 171.03 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 t -145.32 163.72 33.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.6 t90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.35 166.65 34.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.77 175.9 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -148.02 141.64 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.832 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.654 ' C ' HD12 ' A' ' 58' ' ' LEU . . . -98.25 137.85 13.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.539 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 57' ' ' GLY . 5.1 mp -151.41 150.97 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.697 0.284 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.0 m -167.98 173.31 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.54 165.9 35.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -101.75 128.6 48.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -94.68 136.97 34.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.91 -22.85 6.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.542 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.57 35.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.696 0.284 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 53.21 43.8 64.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.685 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -122.04 161.09 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 111.031 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -124.37 94.42 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.79 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -70.57 124.81 25.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.88 120.59 6.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 1.3 tp -117.99 151.68 36.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.643 0.259 . . . . 0.0 110.808 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -137.92 165.05 27.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.02 109.95 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 mtp -126.99 177.08 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB1' ' HE1' ' A' ' 82' ' ' TRP . . . -162.2 130.89 4.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -123.24 151.6 42.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -130.94 131.11 44.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.81 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.89 -168.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.5 m -82.56 -34.95 27.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -100.24 37.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.25 105.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -158.77 86.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.427 ' HE1' ' HB1' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -74.44 126.05 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -130.35 98.79 20.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.967 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.673 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 94.9 Cg_endo -79.07 159.87 26.89 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.563 2.176 . . . . 0.0 112.324 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.465 HD12 ' HB ' ' A' ' 113' ' ' THR . 19.0 tt -164.08 136.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.221 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.06 148.87 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.76 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -103.83 157.23 17.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.418 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.412 ' HE1' HG13 ' A' ' 112' ' ' VAL . 31.1 p90 -157.19 110.01 2.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.47 -162.98 12.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.559 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 18.1 m-90 -123.69 145.64 48.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -146.84 150.39 35.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.7 p -115.98 99.93 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.3 p -94.98 125.72 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -125.0 143.71 50.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -131.87 138.98 33.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.76 158.48 43.08 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.432 2.088 . . . . 0.0 112.298 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mp -83.11 -31.24 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.96 -30.59 70.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.77 143.28 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -110.52 -30.61 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -31.55 67.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -82.44 133.87 35.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.516 ' C ' HD12 ' A' ' 104' ' ' LEU . 3.5 m80 -137.43 138.74 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.516 HD12 ' C ' ' A' ' 103' ' ' HIS . 8.4 mp -132.12 163.26 28.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.83 152.55 13.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mt -150.63 141.25 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.54 -176.21 44.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 128' ' ' PRO . 7.2 m-85 -114.93 157.23 23.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.585 ' OG1' HD21 ' A' ' 129' ' ' LEU . 78.8 p -139.35 142.57 37.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 88' ' ' TYR . . . -113.69 114.07 25.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.22 125.09 8.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.502 HG12 ' CA ' ' A' ' 124' ' ' PRO . 4.3 m -117.4 118.43 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.153 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.617 HG23 HD12 ' A' ' 123' ' ' LEU . 9.8 t -99.57 139.4 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.673 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.652 0.263 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.72 156.85 56.69 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.532 2.155 . . . . 0.0 112.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.617 HD12 HG23 ' A' ' 113' ' ' THR . 10.8 mt -109.49 87.47 5.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.502 ' CA ' HG12 ' A' ' 112' ' ' VAL . 70.1 Cg_endo -74.64 148.75 37.5 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.617 2.211 . . . . 0.0 112.394 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.03 115.91 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.96 132.13 43.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 43.0 mt -149.82 131.69 7.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.427 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 72.6 Cg_endo -76.65 126.1 8.68 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.53 2.153 . . . . 0.0 112.251 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.585 HD21 ' OG1' ' A' ' 109' ' ' THR . 2.5 pp -142.13 155.62 45.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -109.27 166.64 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.3 p -129.93 131.73 46.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.472 HG23 ' HB3' ' A' ' 139' ' ' PHE . 16.4 m -141.23 116.06 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.058 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -108.37 158.19 14.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -155.36 112.0 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.724 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 61.61 -134.34 47.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.271 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -87.37 27.42 0.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.739 2.292 . . . . 0.0 112.746 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.03 149.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.176 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 26.5 m -124.93 145.05 50.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.472 ' HB3' HG23 ' A' ' 132' ' ' VAL . 0.4 OUTLIER -127.91 141.75 51.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.577 ' NE2' HD13 ' A' ' 129' ' ' LEU . 4.7 tp60 -132.72 144.0 49.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.0 tpp -140.76 137.48 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.545 HG23 ' HB3' ' A' ' 129' ' ' LEU . 14.2 m -124.08 119.19 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -127.37 162.08 27.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.655 ' O ' HG23 ' A' ' 144' ' ' ILE . 0.6 OUTLIER -135.91 91.99 16.97 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo . . . . . 0 C--N 1.345 0.363 0 C-N-CA 122.599 2.199 . . . . 0.0 112.298 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.909 0.385 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.0 m -151.68 137.72 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -129.14 127.46 41.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -108.59 130.0 55.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.42 ' HB3' ' H ' ' A' ' 31' ' ' ILE . . . -91.1 153.59 19.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.428 ' CZ3' ' HB3' ' A' ' 155' ' ' PHE . 0.0 OUTLIER -153.7 150.3 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -117.59 145.62 44.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -129.15 125.26 36.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.83 140.46 32.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.66 108.06 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -139.01 153.44 48.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 163' ' ' LEU . 2.8 pp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -63.4 -34.31 77.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mmt -69.46 -31.77 70.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -64.89 -42.31 94.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.2 -38.35 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -42.08 70.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -59.48 -40.67 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -64.24 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -75.09 -57.03 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 pt -60.8 -29.8 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.85 -50.66 61.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -59.08 -32.3 69.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.8 m -71.22 -30.56 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -56.39 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -158.78 126.74 5.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -100.12 109.41 21.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -92.83 147.21 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.65 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 2.6 mp -102.16 158.42 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -138.27 132.16 31.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.9 tt -155.65 138.98 10.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.48 153.12 14.42 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.457 2.105 . . . . 0.0 112.284 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' HB1' HD12 ' A' ' 31' ' ' ILE . . . -129.32 -67.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.447 HD12 ' HB1' ' A' ' 30' ' ' ALA . 3.8 mp -140.26 138.98 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 m -133.7 154.28 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 74' ' ' ALA . . . -172.36 -172.78 38.47 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.82 -170.27 43.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.65 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 6.1 m-85 -114.94 174.03 6.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.749 0.309 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.46 162.7 30.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -136.29 131.81 34.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -105.48 169.03 8.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.5 137.67 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -99.97 124.1 44.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -87.59 143.16 27.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.15 -23.09 12.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.395 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -93.31 35.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.62 51.9 53.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.656 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.36 158.77 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -136.58 96.04 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 2.8 p80 -134.02 152.03 51.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.37 174.93 46.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.57 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -104.17 162.07 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.668 0.271 . . . . 0.0 110.836 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 16.9 p90 -146.01 118.92 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.822 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.58 114.68 27.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.279 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -102.66 175.23 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.646 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 54' ' ' GLY . . . -150.61 130.5 13.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -116.39 116.1 27.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -82.96 131.88 35.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -115.4 134.58 54.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 79' ' ' TRP . 0.6 OUTLIER -59.28 -20.77 57.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.446 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 27.1 m-90 -128.27 -44.83 1.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.622 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.67 -161.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.649 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.57 179.71 4.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -60.16 124.2 19.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -104.54 99.07 16.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 70.0 Cg_endo -74.4 148.19 37.87 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.555 2.17 . . . . 0.0 112.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 113' ' ' THR . 18.9 mt -149.23 124.76 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -115.52 117.85 31.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -119.49 135.83 11.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.367 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 68' ' ' HIS . 8.9 t80 -110.03 113.69 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.988 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.48 ' HA3' HG22 ' A' ' 109' ' ' THR . . . -122.47 143.34 15.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.568 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 90' ' ' TRP . 41.2 p90 -120.01 120.97 37.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -135.36 167.87 20.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.6 t -103.85 129.87 51.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.886 HG22 ' CE1' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -98.54 130.08 45.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.988 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -136.16 146.23 46.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -124.93 148.59 60.33 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.09 -168.02 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.59 2.194 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.85 -34.09 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.04 -51.99 11.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -100.79 162.64 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -123.39 -38.1 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -62.34 -46.08 90.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -59.36 120.31 9.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.886 ' CE1' HG22 ' A' ' 93' ' ' THR . 0.3 OUTLIER -130.4 131.01 45.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.482 ' HB3' HG23 ' A' ' 132' ' ' VAL . 0.8 OUTLIER -128.68 138.71 52.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.74 161.53 28.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.539 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mp -142.79 151.2 40.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.51 -161.8 28.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.1 141.2 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.48 HG22 ' HA3' ' A' ' 89' ' ' GLY . 3.6 p -109.99 120.88 43.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.56 127.44 19.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -160.41 -147.98 5.1 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 m -135.33 148.23 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 111.24 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.793 HG23 HG12 ' A' ' 85' ' ' ILE . 77.7 m -113.05 137.45 51.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.422 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.1 mt . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.532 0.206 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.16 147.17 78.59 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.38 2.054 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.52 91.67 17.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.3 133.41 42.25 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.54 2.16 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.4 m -139.36 152.03 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.88 114.31 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.668 HD12 ' OG1' ' A' ' 142' ' ' THR . 0.3 OUTLIER -150.02 150.13 29.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 14.5 Cg_exo -68.77 139.14 43.0 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.66 2.24 . . . . 0.0 112.2 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 140' ' ' GLN . 9.2 tt -150.15 140.83 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.22 137.53 42.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.9 p -109.32 120.72 43.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 104' ' ' LEU . 12.2 p -144.98 131.75 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.36 -141.84 3.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -164.25 122.59 1.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.337 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.47 -130.38 23.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.373 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.54 2.78 8.08 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.495 2.13 . . . . 0.0 112.93 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.6 t -109.24 109.81 29.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.8 0.333 . . . . 0.0 111.205 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.408 ' HG1' ' HB3' ' A' ' 159' ' ' ARG . 29.1 p -125.03 108.95 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -84.93 125.94 33.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.508 ' HG2' HD21 ' A' ' 129' ' ' LEU . 28.3 mt-30 -121.24 113.92 20.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 39.5 mtm -117.28 151.44 36.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.668 ' OG1' HD12 ' A' ' 127' ' ' LEU . 1.5 t -129.49 141.59 50.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -116.08 108.41 16.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.403 HD12 ' HD2' ' A' ' 145' ' ' PRO . 3.3 tp -92.28 134.27 28.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.403 ' HD2' HD12 ' A' ' 144' ' ' ILE . 58.7 Cg_endo . . . . . 0 C--N 1.347 0.448 0 C-N-CA 122.451 2.1 . . . . 0.0 112.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 42.1 t30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.815 0.341 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 154' ' ' TYR . 21.2 t -110.47 154.02 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.401 ' N ' HG12 ' A' ' 153' ' ' VAL . 22.8 m-85 -125.56 139.04 53.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -132.96 136.23 45.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -119.51 137.86 53.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -138.06 137.12 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.6 ttp -97.88 134.32 41.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.408 ' HB3' ' HG1' ' A' ' 138' ' ' THR . 1.7 ttt180 -124.77 135.1 52.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.24 147.06 31.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -100.69 116.55 32.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.69 130.43 54.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.791 0.329 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -68.6 -35.67 77.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 ttt -70.57 -31.52 68.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -66.15 -41.28 90.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.8 t -74.17 -39.08 63.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.68 -44.3 82.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -50.17 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.69 -31.83 72.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.581 ' O ' HG23 ' A' ' 17' ' ' THR . 0.1 OUTLIER -69.21 -45.71 69.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.674 HG22 ' CD1' ' A' ' 18' ' ' TRP . 17.5 mt -72.42 -31.45 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -32.19 72.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -77.71 -42.93 32.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 13' ' ' ASN . 72.5 p -59.84 -52.54 65.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.674 ' CD1' HG22 ' A' ' 14' ' ' ILE . 17.9 m95 -60.58 -33.49 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.815 0.34 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -98.15 118.35 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.2 115.31 25.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -116.64 154.86 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.44 146.46 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.424 ' O ' HG23 ' A' ' 28' ' ' ILE . 54.9 t80 -138.98 118.98 13.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 27' ' ' TYR . 9.8 pt -155.93 158.54 31.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.9 165.62 0.78 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.595 2.197 . . . . 0.0 112.356 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.537 ' HB2' ' HG3' ' A' ' 158' ' ' MET . . . -142.69 -67.0 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tt -166.08 145.19 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.431 HG21 ' CE2' ' A' ' 155' ' ' PHE . 19.3 p -144.54 171.44 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 10.0 m95 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.48 -162.43 32.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.24 -149.5 9.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.613 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 17.5 p90 -108.89 160.85 15.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.13 177.42 16.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 mp -138.58 175.05 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.365 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.3 p -153.67 146.29 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -132.93 121.5 22.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -99.95 113.75 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.9 OUTLIER -87.65 144.88 26.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -57.8 -18.95 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.464 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -89.87 35.08 0.84 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.623 0.249 . . . . 0.0 111.232 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.59 47.1 86.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.714 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 18.4 m-20 -122.04 151.86 40.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -137.7 92.06 2.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.75 155.31 40.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.21 124.26 4.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.637 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.618 HD23 ' H ' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -111.31 146.89 36.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.574 0.226 . . . . 0.0 110.641 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.715 ' HE2' HG21 ' A' ' 109' ' ' THR . 22.8 m-85 -126.91 118.8 25.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -121.24 110.01 15.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -142.81 178.03 7.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.238 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.61 129.96 23.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.982 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -118.05 152.84 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.27 142.28 36.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.2 175.32 5.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -75.48 -15.83 60.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -92.72 17.69 9.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.31 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 55.52 85.2 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.324 . . . . 0.0 111.036 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.3 170.4 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 17.7 m-90 -115.38 114.97 25.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.05 98.92 12.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.78 151.47 78.66 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.453 2.102 . . . . 0.0 112.338 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.8 mm -122.08 138.57 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.033 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -137.87 117.76 13.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -113.33 152.86 17.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.311 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -157.16 112.34 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.63 -173.12 19.82 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -105.01 140.1 38.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.766 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -144.38 133.95 23.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.23 140.79 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.7 m -99.58 138.64 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -146.01 121.59 10.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -132.19 141.79 42.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.08 -176.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.419 2.079 . . . . 0.0 112.333 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.02 -40.17 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.59 -31.93 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -133.76 162.19 32.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -124.89 23.63 7.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.14 -50.97 5.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -61.6 98.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -83.02 140.29 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.415 ' HG ' HG12 ' A' ' 132' ' ' VAL . 0.2 OUTLIER -141.52 140.88 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.26 143.71 7.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.9 mp -140.77 150.29 43.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.81 -168.29 41.38 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' A' ' 128' ' ' PRO . 6.1 m-85 -125.31 145.85 49.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.785 0.326 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.715 HG21 ' HE2' ' A' ' 71' ' ' TYR . 1.1 p -114.32 136.9 52.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.97 114.59 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -145.39 -149.4 5.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 124' ' ' PRO . 15.8 m -148.06 162.52 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 111.071 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.606 HG23 ' HB2' ' A' ' 123' ' ' LEU . 1.3 t -127.61 160.75 30.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.635 0.255 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.82 163.03 40.56 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.498 2.132 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.606 ' HB2' HG23 ' A' ' 113' ' ' THR . 5.8 mt -112.85 90.08 14.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.428 ' HA ' HG12 ' A' ' 112' ' ' VAL . 76.3 Cg_exo -50.1 140.95 31.6 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.584 2.19 . . . . 0.0 112.436 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 125' ' ' VAL . 31.6 m -149.83 121.07 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.04 123.29 40.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 mp -148.42 129.55 7.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.73 ' O ' HG23 ' A' ' 142' ' ' THR . 72.0 Cg_endo -74.66 150.21 39.57 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.506 2.138 . . . . 0.0 112.323 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.452 HD21 ' HE2' ' A' ' 71' ' ' TYR . 4.3 pp -165.55 173.65 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.02 166.3 27.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.9 t -127.49 123.43 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.415 HG12 ' HG ' ' A' ' 104' ' ' LEU . 6.0 m -145.05 127.17 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.98 -148.59 6.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -170.98 128.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.09 -131.79 28.02 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.523 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -83.3 9.32 4.15 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.705 2.27 . . . . 0.0 113.281 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 m -122.46 106.6 18.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.9 0.381 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.0 m -118.36 117.15 28.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.76 142.71 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -129.57 142.68 50.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.01 146.87 50.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 128' ' ' PRO . 11.1 m -138.34 146.47 42.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -109.01 149.13 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 153' ' ' VAL . 3.7 mp -130.2 91.95 37.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--N 1.345 0.385 0 C-N-CA 122.526 2.151 . . . . 0.0 112.297 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 144' ' ' ILE . 21.4 t -136.01 158.8 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.472 ' N ' HG12 ' A' ' 153' ' ' VAL . 0.1 OUTLIER -118.36 117.12 28.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.431 ' CE2' HG21 ' A' ' 32' ' ' THR . 5.7 m-85 -107.67 134.78 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -111.78 143.65 42.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -137.61 144.17 41.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' MET . . . . . 0.537 ' HG3' ' HB2' ' A' ' 30' ' ' ALA . 12.9 mtp -89.0 136.59 32.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 17.0 ttp85 -128.76 143.71 50.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' PHE . . . . . 0.493 ' CD1' ' CE2' ' A' ' 162' ' ' PHE . 0.7 OUTLIER -122.36 146.55 47.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -114.29 126.07 54.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 160' ' ' PHE . 16.9 m-85 -135.32 115.04 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 163' ' ' LEU . 1.4 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.848 0.356 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -31.68 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.9 ttt -72.92 -32.25 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 m -60.69 -49.86 75.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.5 p -70.54 -39.55 73.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 14' ' ' ILE . 42.4 t80 -61.61 -40.58 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -62.58 -47.45 83.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.06 -32.16 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -72.75 -57.07 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.447 HG21 ' CE2' ' A' ' 10' ' ' PHE . 2.6 pp -61.8 -32.11 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.199 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.25 -30.76 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -36.07 70.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p -78.6 -37.84 41.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -39.41 79.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.893 0.377 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.489 ' CG ' HD12 ' A' ' 163' ' ' LEU . 1.2 t-80 -149.71 117.98 6.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -90.55 115.6 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.23 148.21 47.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.712 ' HB3' HD11 ' A' ' 28' ' ' ILE . 6.5 mp -111.95 124.72 53.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.6 ' C ' HD12 ' A' ' 28' ' ' ILE . 1.2 t80 -101.28 118.74 37.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 26' ' ' LEU . 3.5 mp -142.9 135.96 13.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.09 150.54 77.44 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.448 2.099 . . . . 0.0 112.296 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.06 -75.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' ' 156' ' ' ALA . 27.9 mm -112.23 140.49 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.7 p -154.48 133.35 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.6 m0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.09 -172.79 23.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.75 -152.9 8.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.586 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.683 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 94.3 m-85 -130.92 173.96 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 111.008 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.63 169.56 24.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 59' ' ' SER . 0.4 OUTLIER -150.84 155.67 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.344 . . . . 0.0 110.926 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.472 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -136.69 160.0 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -141.62 159.3 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 24.9 p-90 -121.61 125.95 47.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.05 140.34 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.07 -18.19 45.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.358 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -91.86 35.13 0.97 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.665 0.269 . . . . 0.0 111.215 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.27 44.04 96.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.588 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -122.0 161.01 23.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -137.92 93.24 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -70.03 148.65 48.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.25 125.01 2.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 87' ' ' GLY . 6.6 tp -111.12 151.2 28.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.677 0.275 . . . . 0.0 110.799 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.434 ' OH ' HG21 ' A' ' 109' ' ' THR . 21.1 m-85 -121.39 155.61 34.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -150.32 109.99 4.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.527 ' CB ' HD12 ' A' ' 85' ' ' ILE . 4.1 mmm -133.89 144.36 48.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.045 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -138.38 136.88 36.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.67 124.06 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.43 120.9 39.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -167.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -87.16 -32.99 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.8 p-90 -162.75 31.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -108.66 -80.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 178.15 -173.59 0.14 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.809 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -89.6 134.09 34.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.55 98.85 15.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.21 160.07 29.72 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.626 2.217 . . . . 0.0 112.492 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.527 HD12 ' CB ' ' A' ' 73' ' ' MET . 22.5 mt -149.25 133.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.15 119.96 15.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.799 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -103.74 155.96 17.7 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.674 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -157.24 109.99 2.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.747 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.15 178.78 23.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.619 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -122.41 122.12 38.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -129.44 167.87 17.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -123.31 116.13 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.5 m -90.74 127.59 36.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -125.83 129.83 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -105.7 126.0 31.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 50.9 Cg_exo -53.95 177.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.452 2.102 . . . . 0.0 112.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 mp -111.0 -39.55 4.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.75 74.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.4 122.33 12.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -96.38 41.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.07 -31.37 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 96' ' ' PRO . 32.4 p90 -112.5 140.81 46.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.981 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -109.81 148.49 31.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.752 ' HA ' HG12 ' A' ' 132' ' ' VAL . 4.3 mt -123.69 144.17 49.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.41 140.88 8.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.2 OUTLIER -143.39 134.56 25.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.5 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 167.29 -174.36 42.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -103.11 157.42 17.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 110.798 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.434 HG21 ' OH ' ' A' ' 71' ' ' TYR . 33.0 p -135.06 117.1 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.786 ' HB2' ' HG ' ' A' ' 126' ' ' LEU . . . -119.81 114.0 21.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.787 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.402 ' HA3' ' HA2' ' A' ' 87' ' ' GLY . . . -130.47 -172.23 13.09 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.768 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.2 m -129.28 125.35 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.83 126.05 52.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.931 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.7 mm . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.571 0.224 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.08 163.0 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.472 2.115 . . . . 0.0 112.396 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 123' ' ' LEU . 2.3 pp -126.06 120.81 23.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.43 162.45 12.27 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.444 2.096 . . . . 0.0 112.222 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.589 HG12 ' CD2' ' A' ' 127' ' ' LEU . 21.5 t -150.04 115.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.786 ' HG ' ' HB2' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -117.45 114.74 23.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.589 ' CD2' HG12 ' A' ' 125' ' ' VAL . 1.2 pt? -150.03 159.23 35.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.414 ' O ' HG22 ' A' ' 142' ' ' THR . 14.8 Cg_exo -68.8 142.69 53.13 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.724 2.282 . . . . 0.0 112.175 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.895 HD12 HG23 ' A' ' 142' ' ' THR . 7.4 tt -149.97 153.81 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.535 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -139.91 139.94 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 p -112.24 114.02 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 104' ' ' LEU . 15.4 m -141.33 139.91 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -169.57 -153.34 8.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.695 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.459 ' O ' HG22 ' A' ' 137' ' ' VAL . 35.0 m-85 -142.54 111.89 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.93 -121.26 11.69 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.779 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -84.39 -0.51 9.45 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.743 2.296 . . . . 0.0 113.465 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 134' ' ' TYR . 3.2 m -110.15 112.37 40.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.851 0.358 . . . . 0.0 111.245 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 159' ' ' ARG . 5.5 t -118.56 137.3 53.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -114.16 135.98 53.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.1 134.22 47.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.14 129.95 48.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.895 HG23 HD12 ' A' ' 129' ' ' LEU . 0.4 OUTLIER -117.03 141.94 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -123.74 115.84 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 1.072 HD13 HG23 ' A' ' 153' ' ' VAL . 3.9 mp -102.51 93.74 4.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.045 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo . . . . . 0 C--N 1.345 0.384 0 C-N-CA 122.48 2.12 . . . . 0.0 112.368 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.771 0.32 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 1.072 HG23 HD13 ' A' ' 144' ' ' ILE . 5.5 m -132.32 159.68 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.64 146.83 47.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.812 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -137.22 121.33 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . . . -110.52 150.51 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -145.01 171.37 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 36.0 mtm -123.43 134.05 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.448 ' O ' HG22 ' A' ' 138' ' ' THR . 0.9 OUTLIER -133.93 122.47 23.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -93.01 125.61 37.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -94.25 123.16 37.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -138.75 117.07 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.489 HD12 ' CG ' ' A' ' 23' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m0 -75.08 -53.59 8.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -30.13 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.8 m -60.54 -55.91 27.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.785 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.3 p -60.71 -44.62 96.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.35 -41.2 96.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -70.75 -31.26 68.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.67 -30.47 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -78.4 -43.24 27.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.1 mt -71.42 -46.15 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.17 98.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -61.73 -46.51 89.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -70.69 -30.67 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.14 -39.69 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.997 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.901 0.381 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.539 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.6 m170 -109.04 123.36 49.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -118.49 107.15 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -114.87 132.62 56.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.62 126.31 48.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.436 ' O ' HG23 ' A' ' 28' ' ' ILE . 41.2 t80 -100.56 128.17 46.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 27' ' ' TYR . 11.2 pt -156.07 156.42 30.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.21 166.89 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.531 2.154 . . . . 0.0 112.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.681 ' HB1' HD12 ' A' ' 31' ' ' ILE . . . -141.19 -73.8 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.681 HD12 ' HB1' ' A' ' 30' ' ' ALA . 3.9 mp -144.3 151.1 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.8 m -155.99 127.92 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.07 -179.72 43.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.13 -143.99 7.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -140.93 174.06 10.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.3 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.95 135.41 4.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.608 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 23' ' ' HIS . 6.7 tp -107.54 137.18 46.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.787 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.44 139.18 52.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -110.52 159.68 17.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -99.97 124.24 45.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.037 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.36 136.92 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.709 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.75 -24.06 8.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.392 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.45 33.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.853 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.91 48.37 73.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -121.99 161.23 23.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.358 . . . . 0.0 111.2 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.51 92.75 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -120.69 140.01 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.27 -170.81 35.81 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.394 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.469 HD21 HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -94.37 165.23 12.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.839 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -135.9 118.84 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.664 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.87 129.07 49.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.237 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.59 ' HB3' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -148.63 122.26 9.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.23 130.02 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -108.06 111.03 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.744 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -98.65 141.1 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.88 162.56 13.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -62.13 -19.41 62.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -144.92 -43.79 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -170.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -96.62 -174.44 3.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 14.5 p-90 -108.39 142.33 38.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.46 109.65 48.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.1 160.05 40.3 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.483 2.122 . . . . 0.0 112.236 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.59 HD12 ' HB3' ' A' ' 73' ' ' MET . 44.5 mt -145.57 135.18 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.249 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.08 117.83 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.672 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.16 169.08 26.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.884 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -95.9 118.04 31.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.29 113.43 4.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.638 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -104.3 111.96 24.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.789 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -119.09 130.76 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.022 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -108.2 104.78 14.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.06 137.47 45.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.02 137.55 24.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -128.83 133.64 25.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.907 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 40.0 Cg_exo -57.04 -162.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.509 2.139 . . . . 0.0 112.164 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.3 tp -85.52 -30.24 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.83 -29.82 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.193 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.7 t0 62.67 119.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -170.97 -176.88 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.438 ' HB2' ' CE1' ' A' ' 134' ' ' TYR . 2.1 m-80 -71.11 -23.99 62.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -53.69 107.7 0.28 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -98.06 120.26 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.563 ' HG ' HG22 ' A' ' 132' ' ' VAL . 0.4 OUTLIER -138.78 133.5 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.81 -156.8 11.84 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.575 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 107' ' ' GLY . 1.2 tt -108.51 155.15 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.544 ' N ' HD23 ' A' ' 106' ' ' LEU . . . -147.65 130.74 3.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -128.11 128.15 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . 1.094 HG23 HD21 ' A' ' 129' ' ' LEU . 48.6 p -105.9 108.97 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.6 123.34 24.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.7 -160.4 23.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.3 m -114.5 150.68 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 111.203 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.3 p -124.03 141.53 51.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.685 0.279 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.9 162.97 39.68 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.619 2.213 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.47 89.44 49.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.2 140.92 32.44 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.609 2.206 . . . . 0.0 112.405 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.487 ' C ' HD12 ' A' ' 126' ' ' LEU . 30.7 m -137.62 147.87 26.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.487 HD12 ' C ' ' A' ' 125' ' ' VAL . 4.3 mp -146.29 115.5 7.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 129' ' ' LEU . 82.7 mt -135.82 117.0 11.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.431 ' HG2' ' CE2' ' A' ' 143' ' ' TYR . 73.4 Cg_endo -75.11 148.55 35.02 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.459 2.106 . . . . 0.0 112.342 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 1.094 HD21 HG23 ' A' ' 109' ' ' THR . 0.3 OUTLIER -161.37 172.62 16.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.03 141.67 51.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m -94.63 122.33 37.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.563 HG22 ' HG ' ' A' ' 104' ' ' LEU . 21.6 t -144.91 132.89 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.4 ' HA2' ' CE1' ' A' ' 139' ' ' PHE . . . -178.64 -160.96 25.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.43 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.576 ' O ' HG12 ' A' ' 137' ' ' VAL . 63.1 t80 -161.66 111.87 1.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.69 -112.29 4.52 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.73 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -85.13 -19.38 3.83 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.774 2.316 . . . . 0.0 113.387 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 134' ' ' TYR . 14.8 p -90.32 114.79 28.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 111.348 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.14 118.36 25.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.427 ' CE2' ' HB ' ' A' ' 132' ' ' VAL . 55.1 p90 -128.15 133.07 48.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -126.44 143.28 51.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 5.3 mtt -112.66 135.4 53.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.3 t -120.59 139.46 52.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 128' ' ' PRO . 19.7 p90 -115.22 137.07 52.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.627 ' O ' HG23 ' A' ' 144' ' ' ILE . 2.3 tt -103.05 93.89 4.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--N 1.345 0.374 0 C-N-CA 122.551 2.167 . . . . 0.0 112.352 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.4 m120 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.1 t -129.68 146.16 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -115.9 146.53 41.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -131.98 124.72 29.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.521 ' HB3' ' H ' ' A' ' 31' ' ' ILE . . . -91.06 156.35 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -147.5 134.44 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.6 mtt -99.15 140.5 33.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -136.33 128.5 29.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.55 123.43 48.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -90.16 129.31 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.97 134.35 33.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -44.89 90.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.5 ttt -61.51 -32.25 72.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -60.84 -44.08 97.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.7 m -73.31 -32.9 64.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.546 ' O ' HG22 ' A' ' 14' ' ' ILE . 73.3 t80 -76.04 -31.51 58.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -63.54 -48.03 79.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.81 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -66.25 -54.7 21.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 10' ' ' PHE . 1.1 tp -60.19 -40.85 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -63.51 -32.93 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -71.13 -53.68 13.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -55.62 -27.8 51.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -30.6 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.29 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -140.08 168.03 20.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -81.75 109.53 16.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.47 134.59 34.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -119.68 112.07 18.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -99.22 124.78 44.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.423 HD12 ' HD2' ' A' ' 29' ' ' PRO . 3.3 tp -155.97 134.01 7.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.032 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HD2' HD12 ' A' ' 28' ' ' ILE . 56.5 Cg_endo -70.7 -179.04 3.02 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.428 2.085 . . . . 0.0 112.263 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.81 -62.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.99 133.99 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.218 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.7 t -156.05 154.28 30.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' HA3' ' CE1' ' A' ' 75' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.88 176.04 35.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.425 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.73 -165.84 26.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.594 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -147.28 174.08 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.08 -167.86 34.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -132.39 155.46 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.404 ' H ' HD23 ' A' ' 58' ' ' LEU . 2.0 t -123.55 148.64 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.95 142.62 36.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -107.77 167.95 9.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.045 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.62 139.63 51.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.745 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -52.82 -31.21 37.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -68.99 -18.65 64.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.95 46.92 0.92 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.04 161.04 23.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 111.11 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -137.97 105.38 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -131.61 140.1 49.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.998 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.33 -174.43 22.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.58 158.5 43.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.628 0.251 . . . . 0.0 110.788 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 46.0 p90 -157.09 118.75 3.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.31 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.74 117.57 30.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.548 ' HB2' HD11 ' A' ' 85' ' ' ILE . 3.5 mtm -111.91 134.4 53.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.69 139.61 49.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.403 ' CE1' ' HA3' ' A' ' 53' ' ' GLY . 1.2 m-85 -125.58 127.33 46.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -108.67 121.66 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -118.09 -170.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 m -60.16 -29.48 68.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -19.39 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 64.87 60.72 0.82 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.019 0.437 . . . . 0.0 110.766 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -162.08 103.01 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.731 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 30.6 p90 -57.57 128.34 36.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -103.37 98.93 13.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 114' ' ' ALA . 71.6 Cg_endo -77.25 145.49 24.25 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.52 2.147 . . . . 0.0 112.503 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 73' ' ' MET . 2.1 pp -152.74 119.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -99.09 117.85 34.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -105.21 135.78 12.77 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.141 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -104.33 109.93 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 111.05 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.707 ' HA2' HG22 ' A' ' 109' ' ' THR . . . -96.47 108.93 3.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -113.84 112.3 23.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.815 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -147.45 166.4 27.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.53 143.36 27.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.1 p -99.06 142.72 30.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -146.1 132.96 20.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -110.38 124.86 32.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.31 -171.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.383 2.055 . . . . 0.0 112.28 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.1 mt -99.5 -54.35 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.36 -41.72 55.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.85 162.56 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.22 -50.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -69.38 -31.61 70.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.01 99.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -91.83 135.06 34.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.9 tp -133.31 148.07 51.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.49 163.59 37.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.8 mt -147.48 127.9 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -166.91 -157.79 10.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -131.86 151.4 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.707 HG22 ' HA2' ' A' ' 89' ' ' GLY . 39.5 p -121.67 116.54 24.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -138.4 127.35 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -136.32 -153.9 6.68 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.626 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.87 147.46 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.855 0.359 . . . . 0.0 111.211 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.525 ' HA ' HG22 ' A' ' 85' ' ' ILE . 87.2 m -102.7 160.17 14.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.834 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.551 ' HB2' ' HG2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.497 0.189 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.09 145.58 67.62 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.414 2.076 . . . . 0.0 112.263 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 tp -102.11 94.45 4.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.56 143.24 56.26 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.436 2.091 . . . . 0.0 112.282 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 31.1 m -136.04 141.62 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 127' ' ' LEU . 2.4 tt -115.23 114.25 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.46 HD12 ' C ' ' A' ' 126' ' ' LEU . 5.1 mp -139.03 124.37 11.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 143' ' ' TYR . 15.2 Cg_exo -68.71 148.36 71.53 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.448 2.099 . . . . 0.0 112.061 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.693 HD12 ' OG1' ' A' ' 142' ' ' THR . 7.8 tt -154.31 152.67 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -117.89 157.39 26.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.8 p -116.29 114.88 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 132' ' ' VAL . 11.3 p -145.02 115.97 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.984 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.21 -170.96 12.43 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.649 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.456 ' O ' HG12 ' A' ' 137' ' ' VAL . 54.4 t80 -168.42 128.39 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.728 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 65.71 -135.72 35.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.279 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -87.35 23.95 0.77 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.782 2.322 . . . . 0.0 112.843 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 134' ' ' TYR . 9.0 p -138.92 139.76 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.99 145.01 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -127.4 134.35 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.547 ' HB3' HD11 ' A' ' 129' ' ' LEU . 31.5 mt-30 -126.48 132.93 51.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.41 130.03 55.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.693 ' OG1' HD12 ' A' ' 129' ' ' LEU . 1.5 m -109.56 115.26 29.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' TYR . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 128' ' ' PRO . 45.0 p90 -106.25 125.03 50.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.85 91.92 28.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.208 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--N 1.346 0.397 0 C-N-CA 122.529 2.153 . . . . 0.0 112.236 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 154' ' ' TYR . 10.9 p -108.63 158.44 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.958 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.478 ' N ' HG22 ' A' ' 153' ' ' VAL . 43.8 m-85 -130.1 146.47 51.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -125.55 133.66 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.29 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -142.02 117.43 10.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.96 127.89 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.09 111.27 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' PHE . . . . . 0.43 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.3 OUTLIER -109.19 147.03 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -113.05 137.54 51.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 160' ' ' PHE . 44.4 m-85 -128.55 174.89 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 9' ' ' THR . 68.6 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -79.03 -30.58 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -52.18 66.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 9' ' ' THR . 8.0 t -62.5 -47.51 83.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 5' ' ' GLU . 25.4 p -62.79 -31.54 72.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.63 -33.81 73.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -59.94 -41.17 91.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.81 -31.14 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -68.32 -34.96 77.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.0 mm -70.73 -50.93 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -37.44 87.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -67.18 -36.2 81.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -35.63 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -62.87 -47.83 81.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -100.15 161.44 13.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -126.08 121.33 32.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -115.06 165.92 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tp -130.24 116.82 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -94.75 134.4 37.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 158' ' ' MET . 8.3 tt -154.75 136.08 9.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.456 ' HD3' ' HE1' ' A' ' 73' ' ' MET . 18.7 Cg_endo -60.1 125.31 17.24 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.462 2.108 . . . . 0.0 112.228 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 158' ' ' MET . . . -93.31 -77.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.5 tt -156.25 158.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 m -136.75 138.02 40.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.94 145.27 10.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -146.13 173.23 26.5 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.682 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.412 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 11.1 m-85 -126.48 171.33 11.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 0.0 110.711 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -140.42 134.56 6.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.586 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 mt -122.03 123.01 40.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.9 t -132.21 157.88 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.422 HH22 HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -151.57 163.16 39.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.72 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.421 ' HB3' ' CZ3' ' A' ' 67' ' ' TRP . 19.7 p90 -115.64 154.7 29.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -119.89 147.01 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.89 -22.87 10.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.507 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -92.66 35.04 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.18 44.38 88.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.615 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.64 147.41 31.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.421 ' CZ3' ' HB3' ' A' ' 61' ' ' TRP . 15.4 t-105 -129.98 95.94 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -74.52 146.92 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.749 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.52 118.32 1.4 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.711 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.422 HD22 HH22 ' A' ' 60' ' ' ARG . 4.3 mp -114.55 146.05 41.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.558 0.218 . . . . 0.0 110.466 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -113.48 155.91 24.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.977 0.418 . . . . 0.0 111.165 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -156.32 133.04 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.595 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.456 ' HE1' ' HD3' ' A' ' 29' ' ' PRO . 10.2 mtt -161.1 166.93 27.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 0.0 111.267 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.16 132.82 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -125.68 171.79 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.01 140.61 50.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.33 -173.47 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -35.0 64.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -101.33 -66.02 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -175.55 103.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -168.15 112.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -94.37 123.41 37.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -112.53 98.83 45.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.63 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 87.6 Cg_endo -81.74 159.98 18.95 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.663 2.242 . . . . 0.0 112.51 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.9 mt -139.61 147.67 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.85 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.866 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . . . -138.21 156.99 47.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.086 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -138.05 144.97 16.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.331 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -152.17 109.93 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.832 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.03 169.89 41.14 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.539 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -115.09 154.81 28.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -157.16 163.33 39.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.7 m -115.88 116.25 27.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.86 119.5 33.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.13 148.96 52.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -116.45 132.4 23.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.15 174.63 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.428 2.085 . . . . 0.0 112.337 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mp -94.86 -41.47 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.03 -43.63 43.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -81.79 172.41 13.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.87 -63.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -68.04 -32.65 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -62.13 123.17 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.74 146.43 50.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.13 144.82 40.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.563 ' O ' ' HB1' ' A' ' 130' ' ' ALA . . . -148.78 135.12 5.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.2 tt -126.77 141.58 51.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.59 -159.79 24.6 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -122.05 131.37 53.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.9 p -122.06 134.69 54.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.3 113.92 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.817 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -101.57 140.28 14.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.516 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.866 ' CG2' ' HB3' ' A' ' 86' ' ' ALA . 28.4 m -115.38 125.9 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -99.95 111.89 24.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.63 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.208 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.8 pt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.685 0.279 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.57 118.14 3.15 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.809 2.34 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -99.95 108.44 51.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.562 ' CA ' HG12 ' A' ' 112' ' ' VAL . 27.3 Cg_exo -62.25 156.31 51.58 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.545 2.163 . . . . 0.0 112.246 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 111' ' ' GLY . 28.8 m -150.04 115.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 126' ' ' LEU . 0.3 OUTLIER -82.3 117.95 22.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 128' ' ' PRO . 5.0 mt -147.93 146.56 24.16 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 14.8 Cg_exo -68.86 136.51 35.63 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.609 2.206 . . . . 0.0 112.08 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 130' ' ' ALA . 4.4 tt -150.1 152.78 35.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.633 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -140.86 161.58 37.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.91 117.2 23.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 31.3 m -134.51 137.8 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.55 -155.48 15.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -171.03 140.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.775 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.05 -135.37 51.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.331 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -86.31 37.12 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.727 2.285 . . . . 0.0 112.79 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.13 121.79 10.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.786 0.327 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.402 HG21 ' HD3' ' A' ' 159' ' ' ARG . 56.3 m -125.03 130.38 52.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.458 ' HE2' ' HB1' ' A' ' 156' ' ' ALA . 0.3 OUTLIER -119.71 143.3 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.465 ' HB3' HD21 ' A' ' 129' ' ' LEU . 10.6 mt-30 -115.12 145.45 42.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 16.3 mtm -131.74 130.01 41.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.2 m -120.97 151.09 40.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.48 141.32 51.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 30.2 mm -112.29 91.93 17.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.642 2.228 . . . . 0.0 112.372 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 20.4 t -108.43 139.39 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.72 147.01 31.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.26 128.07 43.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.458 ' HB1' ' HE2' ' A' ' 139' ' ' PHE . . . -104.81 122.57 46.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.402 ' CH2' ' HB3' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -118.68 161.26 20.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 158' ' ' MET . . . . . 0.502 ' HB3' HG23 ' A' ' 28' ' ' ILE . 3.2 ttp -116.33 144.3 44.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.402 ' HD3' HG21 ' A' ' 138' ' ' THR . 49.6 ttt180 -150.23 123.13 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -111.34 145.01 39.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.32 116.94 33.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -128.1 159.66 34.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.787 0.327 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.89 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.1 -42.35 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t -56.49 -28.39 59.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.8 m -58.31 -33.48 69.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -76.08 -31.52 58.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -59.37 -37.63 78.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.19 -31.3 71.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.86 -56.96 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.5 pt -59.55 -33.6 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.77 -31.69 63.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.78 -59.25 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.5 p -59.82 -30.88 69.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -60.11 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.8 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -115.47 144.82 43.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.65 104.18 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.39 126.09 35.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 160' ' ' PHE . 4.9 mp -108.32 149.81 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 12.9 m-85 -133.43 130.67 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 pt -138.21 153.55 73.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.96 156.56 62.54 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.587 2.191 . . . . 0.0 112.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.69 -69.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.713 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 8.1 tp -146.32 141.92 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.0 p -141.26 153.36 45.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.624 -0.191 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.9 169.42 15.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.56 -153.11 9.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 12.7 p90 -134.92 168.63 18.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.32 175.01 37.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -119.01 146.06 45.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.76 175.06 6.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -158.68 165.15 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.466 ' CD1' ' CE2' ' A' ' 67' ' ' TRP . 12.9 m0 -129.21 127.97 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.48 146.83 24.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.06 -23.74 8.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.48 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.77 34.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.723 0.297 . . . . 0.0 111.09 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.96 45.8 85.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.575 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.52 151.41 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.466 ' CE2' ' CD1' ' A' ' 61' ' ' TRP . 5.2 m95 -129.25 101.55 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.88 162.34 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' HA2' ' CE1' ' A' ' 88' ' ' TYR . . . 169.06 171.88 35.24 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.627 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.841 HD22 ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -91.98 166.08 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 87' ' ' GLY . 18.9 p90 -148.93 121.22 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -103.68 121.57 43.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.145 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.401 ' O ' HD12 ' A' ' 85' ' ' ILE . 23.9 ttp -133.87 126.42 30.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.92 140.02 31.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -121.32 117.39 26.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -83.11 139.66 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -112.28 -177.23 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -74.94 -33.13 61.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -163.05 34.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -130.05 23.86 5.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.46 -169.01 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.078 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -90.94 155.01 19.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -136.63 98.92 10.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.79 154.76 54.0 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.504 2.136 . . . . 0.0 112.296 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.656 ' CG2' HG22 ' A' ' 113' ' ' THR . 4.4 mp -142.75 119.99 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.841 ' HB1' HD22 ' A' ' 70' ' ' LEU . . . -109.97 117.98 35.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.636 ' N ' HD23 ' A' ' 70' ' ' LEU . . . -135.79 139.97 11.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.293 -0.956 . . . . 0.0 113.008 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.413 ' CE1' ' HA2' ' A' ' 69' ' ' GLY . 2.6 t80 -96.38 125.81 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.47 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.62 152.13 19.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.731 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -106.15 139.42 40.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -150.11 131.79 14.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.981 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.7 t -96.49 126.92 42.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.1 p -79.8 143.58 34.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -145.99 124.28 12.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -101.38 128.74 28.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.799 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.81 -174.49 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.433 2.088 . . . . 0.0 112.36 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mt -110.66 -32.37 6.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.17 70.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.78 179.13 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -131.08 -55.62 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -60.89 -31.15 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.27 121.16 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.34 130.97 54.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.54 145.09 44.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.72 148.44 17.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 130' ' ' ALA . 6.8 tp -149.72 152.55 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.87 -162.94 35.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.552 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -112.43 170.99 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.476 HG21 HD13 ' A' ' 129' ' ' LEU . 70.2 p -146.72 115.63 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.81 148.02 52.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.412 ' HA3' ' CA ' ' A' ' 87' ' ' GLY . . . -176.16 -157.49 17.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.738 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 124' ' ' PRO . 26.8 m -141.34 153.64 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.656 HG22 ' CG2' ' A' ' 85' ' ' ILE . 10.8 p -105.12 157.22 17.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.592 0.234 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.93 158.5 24.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.507 2.138 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.98 99.68 24.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.534 ' HA ' HG12 ' A' ' 112' ' ' VAL . 36.3 Cg_endo -65.58 133.99 36.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.405 2.07 . . . . 0.0 112.474 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -149.97 146.16 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.28 125.82 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.03 160.02 34.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.82 153.0 73.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.749 2.3 . . . . 0.0 112.174 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.542 HD23 ' N ' ' A' ' 130' ' ' ALA . 7.7 tt -161.6 153.46 19.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.542 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -137.21 175.35 9.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.4 t -150.23 118.22 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.668 HG22 ' CE ' ' A' ' 141' ' ' MET . 15.0 m -141.98 125.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -163.3 -152.24 6.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 134' ' ' TYR . 30.0 p90 -171.06 135.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 64.0 -135.72 40.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.409 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -87.3 28.9 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.816 2.344 . . . . 0.0 113.024 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.98 106.29 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.7 m -109.13 130.06 55.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -107.04 113.96 27.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -106.79 136.62 46.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' MET . . . . . 0.668 ' CE ' HG22 ' A' ' 132' ' ' VAL . 4.1 ptp -122.38 129.99 52.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.547 HG23 ' HB2' ' A' ' 155' ' ' PHE . 5.2 t -108.18 139.16 43.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -109.65 120.6 43.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.636 HD12 HG13 ' A' ' 153' ' ' VAL . 27.9 mt -102.31 107.66 54.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 C--N 1.346 0.41 0 C-N-CA 122.341 2.027 . . . . 0.0 112.328 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.1 t30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.717 0.294 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.636 HG13 HD12 ' A' ' 144' ' ' ILE . 10.9 p -110.25 143.95 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' A' ' 154' ' ' TYR . 3.5 m-85 -108.43 146.98 32.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.547 ' HB2' HG23 ' A' ' 142' ' ' THR . 1.5 m-85 -136.74 127.71 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -97.66 151.17 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -155.09 139.77 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -96.84 140.8 30.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -132.24 134.66 45.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 160' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 26' ' ' LEU . 2.3 p90 -144.97 128.08 16.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -89.95 134.36 34.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.83 115.25 17.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.874 0.369 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -31.7 69.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 88.5 mtp -64.36 -46.36 83.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.0 p -60.58 -48.7 80.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.7 p -60.26 -35.16 74.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.71 -31.51 71.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -63.5 -40.94 98.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -34.56 75.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.22 -49.19 72.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.463 ' HA ' HG22 ' A' ' 17' ' ' THR . 8.7 tp -69.48 -31.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.55 -34.15 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -74.47 -44.18 52.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.463 HG22 ' HA ' ' A' ' 14' ' ' ILE . 9.7 t -65.17 -34.0 77.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.412 ' CE1' HD22 ' A' ' 163' ' ' LEU . 98.7 m-70 -144.68 172.79 12.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.41 120.56 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -104.38 140.35 38.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 56' ' ' PHE . 5.2 mt -135.78 112.41 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.04 125.91 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.2 mt -138.22 135.86 18.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.76 106.93 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.447 2.098 . . . . 0.0 112.241 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 31' ' ' ILE . . . -82.64 -69.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 30' ' ' ALA . 2.6 pt -157.67 164.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 p -139.01 174.55 10.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.99 149.33 20.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.522 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -107.95 139.75 15.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CE2' HD21 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -152.04 127.71 10.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.36 -163.02 17.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.526 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mt -132.68 169.82 16.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 p -142.18 157.67 44.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.11 175.59 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -144.09 138.17 28.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -95.25 147.48 23.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.7 -21.32 17.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.455 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -91.65 35.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 111.226 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.43 51.58 55.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.625 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.02 155.39 35.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -128.23 106.83 9.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -127.82 133.59 49.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.58 177.06 43.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.987 HD21 ' HB1' ' A' ' 86' ' ' ALA . 7.1 tt -125.74 162.79 24.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.649 0.262 . . . . 0.0 110.768 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.794 ' N ' HD23 ' A' ' 70' ' ' LEU . 54.2 p90 -144.12 118.87 9.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.857 0.36 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.82 117.45 30.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.95 122.3 47.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.5 130.32 45.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.46 124.83 43.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -82.97 134.59 35.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.68 -176.64 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.5 p -86.81 -13.07 46.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.363 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.06 26.51 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.641 0.257 . . . . 0.0 111.166 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 54.94 42.42 31.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -130.53 155.72 46.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -115.28 131.24 56.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.93 98.8 22.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.36 156.54 29.09 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.551 2.167 . . . . 0.0 112.296 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.734 HD12 HG22 ' A' ' 113' ' ' THR . 11.2 tt -151.34 119.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.197 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.987 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -112.52 117.85 33.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.712 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -118.94 138.36 13.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.556 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.473 ' CE1' HD12 ' A' ' 70' ' ' LEU . 47.2 m-85 -89.3 118.69 29.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.775 0.322 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.554 ' HA2' HG22 ' A' ' 109' ' ' THR . . . -98.09 122.11 7.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -126.96 111.94 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.794 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.436 ' OE1' HD11 ' A' ' 129' ' ' LEU . 8.2 mt-10 -145.19 168.05 21.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.0 p -119.46 107.63 13.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.814 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 t -76.82 141.42 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -134.44 122.61 22.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -96.89 109.29 48.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.16 -175.45 0.82 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.364 2.043 . . . . 0.0 112.324 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.84 -32.18 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.88 89.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.21 147.68 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.22 -45.67 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -65.03 -31.92 73.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.45 119.04 20.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -115.62 126.48 54.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 104' ' ' LEU . 10.1 tt -119.44 121.09 38.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -133.13 176.28 19.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.426 ' N ' HD23 ' A' ' 106' ' ' LEU . 0.4 OUTLIER -151.29 147.82 27.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.818 0.342 . . . . 0.0 110.98 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.25 -148.16 11.85 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -146.93 166.21 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.554 HG22 ' HA2' ' A' ' 89' ' ' GLY . 18.1 p -147.41 118.13 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.677 ' HB2' ' CD2' ' A' ' 126' ' ' LEU . . . -96.36 118.56 33.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -93.54 134.3 12.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.616 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.45 HG22 ' HB3' ' A' ' 124' ' ' PRO . 28.0 t -111.86 115.09 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.734 HG22 HD12 ' A' ' 85' ' ' ILE . 24.9 p -98.87 140.31 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.596 0.236 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.02 162.98 10.36 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.48 2.12 . . . . 0.0 112.266 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.18 87.0 56.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.45 ' HB3' HG22 ' A' ' 112' ' ' VAL . 67.1 Cg_endo -74.13 152.0 44.87 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.616 2.211 . . . . 0.0 112.383 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 125' ' ' VAL . 28.0 m -150.06 116.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.677 ' CD2' ' HB2' ' A' ' 110' ' ' ALA . 9.8 mt -82.03 128.95 34.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.506 HD13 ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -136.07 116.89 11.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.765 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.506 ' HD2' HD13 ' A' ' 127' ' ' LEU . 15.0 Cg_exo -68.65 138.95 42.94 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.527 2.151 . . . . 0.0 112.111 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.78 ' HB3' HG23 ' A' ' 142' ' ' THR . 4.4 pp -166.89 163.14 16.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -109.26 169.49 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.017 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.03 135.35 48.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 133' ' ' GLY . 21.5 t -133.84 158.86 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.48 ' N ' HG12 ' A' ' 132' ' ' VAL . . . -150.9 151.06 23.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.72 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.521 ' CZ ' HG13 ' A' ' 137' ' ' VAL . 2.1 p90 -160.7 111.93 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.395 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 65.96 -136.14 35.3 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.92 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -88.74 23.96 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.779 2.32 . . . . 0.0 112.779 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.521 HG13 ' CZ ' ' A' ' 134' ' ' TYR . 10.4 p -142.13 150.08 19.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.843 0.354 . . . . 0.0 111.405 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.5 p -125.01 145.05 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.765 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.81 125.24 37.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.959 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.407 ' HB2' ' CD1' ' A' ' 157' ' ' TRP . 3.7 mp0 -114.29 140.65 48.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.74 131.75 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 129' ' ' LEU . 5.1 m -111.01 146.99 35.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 143' ' ' TYR . 5.0 p90 -139.22 106.51 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 144' ' ' ILE . 8.3 tt -95.54 124.1 54.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.446 2.097 . . . . 0.0 112.243 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.5 t -114.15 138.26 44.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -121.39 141.59 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -142.24 134.34 27.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -129.46 148.22 51.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.407 ' CD1' ' HB2' ' A' ' 140' ' ' GLN . 1.5 p90 -145.85 163.74 34.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.767 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 8.6 ttm -108.89 148.55 30.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.45 128.09 30.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.54 137.34 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -117.09 107.91 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.88 136.73 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 23' ' ' HIS . 11.5 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -78.93 -34.44 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 ttm -68.1 -31.85 71.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -57.95 4.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -60.79 -32.51 71.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -75.18 -44.38 46.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -66.8 -31.47 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -69.5 -34.26 74.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.38 -55.08 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.964 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 15' ' ' ALA . 2.6 pp -59.29 -37.62 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' N ' HD12 ' A' ' 14' ' ' ILE . . . -70.14 -30.1 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -77.2 -46.98 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 18' ' ' TRP . 5.8 t -60.36 -48.17 82.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.426 ' N ' HG23 ' A' ' 17' ' ' THR . 16.4 m95 -62.8 -49.83 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -120.86 177.18 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.25 117.63 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -111.68 139.45 47.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 162' ' ' PHE . 2.1 mp -101.77 140.51 35.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.744 ' O ' HD13 ' A' ' 28' ' ' ILE . 11.1 m-85 -123.25 115.96 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.744 HD13 ' O ' ' A' ' 27' ' ' TYR . 26.0 mm -141.69 135.92 15.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.67 159.31 51.32 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.497 2.132 . . . . 0.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.69 -50.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -141.11 156.34 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -154.77 142.51 19.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.473 ' O ' HG23 ' A' ' 153' ' ' VAL . 3.0 m-90 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.99 -167.09 33.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.86 -144.9 10.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.541 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -124.9 174.04 8.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.98 160.5 32.54 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.16 160.56 18.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -159.52 163.1 35.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.988 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.8 mtm-85 -137.34 151.82 49.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -99.98 116.93 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -77.15 140.09 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.77 -22.56 5.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.47 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -90.7 30.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 111.061 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.15 48.99 75.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.572 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.417 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 27.1 m-20 -121.29 153.12 38.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -123.57 110.49 15.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -134.03 137.31 44.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.69 159.2 31.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.834 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.998 HD21 ' HB1' ' A' ' 86' ' ' ALA . 12.7 tp -89.63 159.37 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.693 0.282 . . . . 0.0 110.75 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 71.9 m-85 -126.25 118.78 25.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.666 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.8 110.0 21.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.589 ' O ' HG22 ' A' ' 85' ' ' ILE . 2.2 ptt? -138.98 151.31 46.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -122.62 144.74 48.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -103.93 113.08 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.688 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 123.33 29.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.41 152.89 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.88 -25.25 63.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -139.34 -42.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -165.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -110.99 -177.85 3.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -74.15 139.04 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -109.58 98.87 34.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.774 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.74 146.26 53.66 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.556 2.171 . . . . 0.0 112.409 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 73' ' ' MET . 11.3 tt -150.39 136.38 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.998 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -130.9 117.96 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.751 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.684 ' C ' HD12 ' A' ' 70' ' ' LEU . . . -138.58 135.92 7.72 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.953 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.583 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -89.44 125.3 35.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.775 179.647 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' HA3' HG22 ' A' ' 109' ' ' THR . . . -109.51 146.38 16.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 24.0 t90 -121.34 111.98 18.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.318 . . . . 0.0 110.718 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.96 147.84 52.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -95.49 132.87 40.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 m -91.39 131.87 36.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -146.05 147.58 31.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -124.01 143.18 41.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.47 -176.14 2.6 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.478 2.119 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.25 -31.21 10.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.92 -30.32 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -127.65 152.13 48.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -109.26 -31.18 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.446 ' HB2' ' CE2' ' A' ' 134' ' ' TYR . 4.3 m-80 -83.0 -26.16 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 133' ' ' GLY . 2.5 t80 -56.21 116.53 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -92.52 136.34 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.824 HD23 HG12 ' A' ' 132' ' ' VAL . 1.3 mt -142.77 148.47 37.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.65 165.12 34.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.65 152.12 28.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.19 -164.59 37.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -116.05 170.76 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.792 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.431 HG22 ' HA3' ' A' ' 89' ' ' GLY . 22.9 p -146.29 112.73 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.001 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.763 ' HB2' ' CD1' ' A' ' 126' ' ' LEU . . . -111.21 132.24 54.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.408 ' HA2' ' HA2' ' A' ' 87' ' ' GLY . . . -146.44 171.45 27.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.84 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.85 124.51 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 85' ' ' ILE . 1.8 t -103.79 133.99 47.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.582 ' HB2' ' CA ' ' A' ' 122' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.291 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.424 ' CG2' ' HD2' ' A' ' 122' ' ' PRO . 3.7 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.583 0.23 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.582 ' CA ' ' HB2' ' A' ' 114' ' ' ALA . 87.1 Cg_exo -47.35 107.18 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.63 2.22 . . . . 0.0 112.675 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.598 HD23 ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -105.56 129.94 23.87 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.629 179.717 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.598 ' HD2' HD23 ' A' ' 123' ' ' LEU . 56.5 Cg_endo -70.41 146.0 54.94 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.496 2.131 . . . . 0.0 112.535 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 125' ' ' VAL . 13.6 p -150.0 116.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.993 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.763 ' CD1' ' HB2' ' A' ' 110' ' ' ALA . 5.1 tp -111.06 134.42 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.05 146.56 20.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.21 128.92 14.36 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.59 2.193 . . . . 0.0 112.282 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.611 HD21 ' CG ' ' A' ' 140' ' ' GLN . 1.1 tt -133.8 151.38 51.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.971 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.554 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -136.97 159.3 42.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m -132.29 114.25 14.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.824 HG12 HD23 ' A' ' 104' ' ' LEU . 31.0 m -144.99 125.05 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.405 ' O ' ' CD1' ' A' ' 102' ' ' PHE . . . -168.94 -142.18 3.44 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.46 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.446 ' CE2' ' HB2' ' A' ' 101' ' ' ASN . 13.3 t80 -166.05 128.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.764 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.36 -132.18 30.1 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.543 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -85.1 14.03 2.6 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.703 2.269 . . . . 0.0 113.215 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.5 m -126.43 116.49 45.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.814 0.34 . . . . 0.0 111.242 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.98 119.81 29.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -79.76 143.73 34.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.611 ' CG ' HD21 ' A' ' 129' ' ' LEU . 5.1 tt0 -106.6 135.59 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.9 130.12 50.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.1 m -127.38 140.28 52.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 143' ' ' TYR . 3.0 m-85 -115.92 113.32 23.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.8 mt -113.44 92.26 22.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo . . . . . 0 C--N 1.344 0.335 0 C-N-CA 122.543 2.162 . . . . 0.0 112.312 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 33' ' ' TRP . 12.2 p -109.49 134.82 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -114.27 137.55 51.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -114.95 143.97 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.543 ' HB3' HG12 ' A' ' 31' ' ' ILE . . . -122.34 123.18 40.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -118.46 167.11 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.3 mtp -105.3 138.56 41.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.424 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 1.8 ttp180 -122.95 116.46 23.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' PHE . . . . . 0.485 ' HB3' HD13 ' A' ' 26' ' ' LEU . 2.2 m-85 -109.01 146.97 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.39 117.35 34.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.693 ' HB2' HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -122.55 140.78 52.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 163' ' ' LEU . 1.1 pp . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -29.97 44.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -58.61 -33.15 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m -80.01 -31.09 39.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 m -75.42 -33.75 60.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.97 -35.29 59.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -64.63 -31.84 73.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.32 -32.33 70.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.44 -56.99 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.485 HG23 ' N ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -58.87 -44.28 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.485 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -63.97 -28.23 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -70.16 -46.56 64.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -73.79 -30.92 63.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -30.15 45.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.887 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.846 0.355 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -139.49 176.19 8.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -106.51 98.0 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.68 162.49 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.81 129.45 36.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.447 ' O ' HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -97.67 120.06 37.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 27' ' ' TYR . 26.3 mm -128.93 138.98 34.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -52.08 150.33 19.14 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.53 2.154 . . . . 0.0 112.297 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 31' ' ' ILE . . . -120.78 -75.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.71 HG13 ' HB3' ' A' ' 156' ' ' ALA . 2.0 pt -154.85 123.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.7 p -111.59 143.96 41.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.59 159.71 11.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.12 -175.81 21.86 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.607 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -132.69 174.11 10.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.301 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.81 132.95 4.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.614 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -108.63 123.05 48.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -85.33 155.67 21.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.413 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 17.3 mtp180 -154.77 155.41 34.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.778 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.5 m-90 -113.14 136.61 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.79 136.9 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -52.86 -24.42 9.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.394 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -94.3 34.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.48 44.66 85.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.446 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.97 161.07 19.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.137 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.48 112.94 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.732 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.413 ' CE1' ' HB3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -133.97 163.11 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.72 159.88 26.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.684 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.77 HD21 ' HB1' ' A' ' 86' ' ' ALA . 7.4 tt -99.27 166.0 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.608 0.242 . . . . 0.0 110.709 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.751 ' N ' HD23 ' A' ' 70' ' ' LEU . 18.4 p90 -148.89 118.93 7.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 110.979 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -97.15 110.02 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.4 ttm -110.92 121.92 46.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.85 130.02 56.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.96 126.29 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -94.51 145.18 24.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -111.15 170.51 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -59.71 -30.46 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -166.64 41.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -134.0 26.01 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 56.62 -165.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 12.8 p-90 -101.92 144.16 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.788 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.82 102.64 54.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -79.7 153.88 23.3 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.566 2.178 . . . . 0.0 112.214 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.442 HG12 HG23 ' A' ' 113' ' ' THR . 25.1 mt -149.56 119.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.77 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -116.99 117.82 30.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.428 ' O ' ' CE2' ' A' ' 71' ' ' TYR . . . -134.85 144.61 16.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.785 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.695 ' CE2' HD12 ' A' ' 70' ' ' LEU . 75.9 m-85 -95.52 124.65 39.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.761 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.54 129.7 9.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.8 m-90 -107.67 112.06 24.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.81 0.338 . . . . 0.0 110.737 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -132.49 153.47 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.002 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.73 120.81 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.5 p -90.09 137.8 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.956 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -145.99 123.12 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.26 132.2 25.98 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.33 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.456 2.104 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.3 -28.9 11.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.87 -44.87 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.9 165.58 32.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -96.11 -36.5 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -60.0 -30.83 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.07 91.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -92.24 120.23 32.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.75 117.31 32.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -128.35 138.51 10.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.435 HD23 ' HB2' ' A' ' 130' ' ' ALA . 3.6 mt -146.0 140.46 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.3 -153.82 22.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.589 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 108' ' ' PHE . 7.1 m-85 -129.47 171.05 12.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.805 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.758 HG21 HD21 ' A' ' 129' ' ' LEU . 36.9 p -145.76 142.96 29.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.921 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -142.25 135.81 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -144.73 174.8 24.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.633 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.426 HG21 ' CB ' ' A' ' 122' ' ' PRO . 11.7 p -127.99 139.55 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.442 HG23 HG12 ' A' ' 85' ' ' ILE . 47.1 m -103.71 142.48 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.56 HD13 ' C ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.511 0.196 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.52 ' N ' HD13 ' A' ' 121' ' ' ILE . 59.1 Cg_endo -71.86 120.13 6.66 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.395 2.063 . . . . 0.0 112.365 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.3 mt -103.39 92.13 3.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.93 154.27 71.17 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.47 2.113 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.19 152.03 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.921 HD22 ' HB2' ' A' ' 110' ' ' ALA . 0.3 OUTLIER -140.98 120.96 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.541 ' N ' HD13 ' A' ' 126' ' ' LEU . 3.8 pp -149.97 136.35 10.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.18 153.05 36.02 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.51 2.14 . . . . 0.0 112.305 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.758 HD21 HG21 ' A' ' 109' ' ' THR . 4.2 pp -168.17 162.31 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.072 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.435 ' HB2' HD23 ' A' ' 106' ' ' LEU . . . -125.57 158.68 33.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.0 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.5 t -128.46 143.81 51.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.01 116.06 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.09 149.36 18.39 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.625 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.41 ' O ' HG12 ' A' ' 137' ' ' VAL . 29.4 t80 -154.67 111.96 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.5 -133.42 51.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.066 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -88.23 24.36 0.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.75 2.3 . . . . 0.0 112.884 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 134' ' ' TYR . 11.5 p -142.09 140.95 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.871 0.367 . . . . 0.0 111.22 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 80.2 m -125.13 128.29 48.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.74 144.0 37.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.448 HE22 HG22 ' A' ' 142' ' ' THR . 0.0 OUTLIER -138.58 123.8 19.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 1.1 tpp -108.85 142.86 38.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.448 HG22 HE22 ' A' ' 140' ' ' GLN . 16.4 p -123.02 151.99 41.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' TYR . . . . . 0.415 ' CE1' ' HB3' ' A' ' 154' ' ' TYR . 3.2 m-85 -136.56 121.82 19.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.526 HD12 ' HD2' ' A' ' 145' ' ' PRO . 6.6 tp -106.26 129.9 23.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' A' ' 144' ' ' ILE . 51.4 Cg_exo . . . . . 0 C--N 1.346 0.435 0 C-N-CA 122.444 2.096 . . . . 0.0 112.303 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.4 t30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.405 HG23 ' CG2' ' A' ' 144' ' ' ILE . 6.0 m -147.44 146.48 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.415 ' HB3' ' CE1' ' A' ' 143' ' ' TYR . 7.0 p90 -132.39 142.99 49.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -112.68 134.56 54.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.71 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -98.84 155.46 17.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -154.07 141.88 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 12.7 mtp -92.17 154.2 18.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -139.58 120.11 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -113.44 139.26 49.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -102.54 115.58 30.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -115.4 130.19 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -42.94 99.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 mtt -63.03 -44.3 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -64.0 -31.66 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.0 m -68.69 -31.38 70.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CE2' HD11 ' A' ' 14' ' ' ILE . 36.0 t80 -72.76 -36.09 67.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -59.55 -31.18 69.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.96 -30.72 69.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -74.91 -36.38 62.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.414 HD11 ' CE2' ' A' ' 10' ' ' PHE . 34.6 mm -68.36 -50.54 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.18 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -30.56 70.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -45.43 70.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 t -74.2 -31.54 62.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -68.06 -35.4 78.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -140.73 149.91 42.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.37 116.14 31.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.71 119.43 39.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.79 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.9 143.22 26.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -138.78 122.41 17.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.643 HD13 ' N ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -155.82 152.94 25.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.83 158.21 58.33 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.329 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.93 -76.06 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 2.9 pp -153.54 159.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.616 HG22 ' HA ' ' A' ' 155' ' ' PHE . 15.8 p -142.53 117.11 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 54.3 m95 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.05 150.43 22.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.468 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -113.55 135.95 12.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.578 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.724 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 12.4 m-85 -152.13 119.08 5.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.284 . . . . 0.0 110.603 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.41 178.09 16.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.703 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 59' ' ' SER . 0.9 OUTLIER -117.1 141.59 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.798 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -90.26 153.79 20.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.99 100.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.718 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -99.84 164.03 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -110.58 152.62 26.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.786 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -55.9 -20.72 16.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.544 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -90.37 35.04 0.87 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.686 0.279 . . . . 0.0 111.269 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.62 53.54 40.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.629 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -121.62 145.86 47.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -118.74 113.42 21.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -134.02 156.03 48.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.07 169.01 40.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.608 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.606 HD11 ' CE2' ' A' ' 88' ' ' TYR . 2.7 mp -104.11 166.06 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.666 0.27 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -129.4 118.82 22.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -108.66 109.83 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.758 ' HB3' HD12 ' A' ' 85' ' ' ILE . 1.3 ttp -118.08 144.23 45.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.06 129.94 38.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.92 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.06 112.98 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -99.84 111.56 23.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -69.86 -177.07 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -86.39 -20.34 28.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.207 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.95 30.09 0.31 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 0.0 110.733 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.77 -163.66 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.671 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -98.51 176.84 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 27.8 p90 -82.07 151.25 27.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -114.93 98.98 51.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.35 150.42 36.67 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.555 2.17 . . . . 0.0 112.322 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.758 HD12 ' HB3' ' A' ' 73' ' ' MET . 32.2 mt -143.97 139.24 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.621 ' O ' HG22 ' A' ' 112' ' ' VAL . . . -138.3 117.8 12.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.674 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.401 ' HA2' ' HA2' ' A' ' 111' ' ' GLY . . . -130.95 -170.44 12.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.627 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.606 ' CE2' HD11 ' A' ' 70' ' ' LEU . 56.6 m-85 -145.48 121.81 10.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.788 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.15 148.08 16.38 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.438 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -145.76 121.36 10.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -149.53 167.82 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 m -121.42 105.86 10.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.8 p -107.21 127.44 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -129.54 161.7 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 155.14 48.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.34 175.52 7.65 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.59 2.193 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.04 -30.78 69.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.54 -31.07 69.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.98 96.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -150.24 -178.17 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -60.53 -33.04 72.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.51 127.12 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -143.85 144.23 31.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.611 ' HG ' HG22 ' A' ' 132' ' ' VAL . 0.6 OUTLIER -133.89 140.32 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -156.89 174.2 34.54 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.56 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.771 HD23 ' HB2' ' A' ' 130' ' ' ALA . 12.1 mt -144.96 138.47 26.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -163.42 -158.75 10.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.579 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -133.09 123.5 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.412 ' HB ' HD13 ' A' ' 129' ' ' LEU . 79.2 m -97.73 109.19 21.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.72 164.24 14.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.401 ' HA2' ' HA2' ' A' ' 87' ' ' GLY . . . -178.79 166.74 36.65 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.647 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.772 HG12 ' HA ' ' A' ' 124' ' ' PRO . 27.2 m -119.8 165.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.91 148.42 44.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.675 0.274 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.33 162.99 40.6 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.575 2.183 . . . . 0.0 112.347 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.0 tp -102.09 96.83 7.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.772 ' HA ' HG12 ' A' ' 112' ' ' VAL . 54.7 Cg_endo -69.81 147.03 61.68 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.524 2.149 . . . . 0.0 112.394 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.01 125.99 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.16 137.86 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.657 HD12 HG23 ' A' ' 142' ' ' THR . 0.1 OUTLIER -149.97 116.91 3.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.604 ' HD2' HD13 ' A' ' 127' ' ' LEU . 15.0 Cg_exo -68.6 128.48 17.17 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.532 2.155 . . . . 0.0 112.124 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.537 HD11 HG23 ' A' ' 142' ' ' THR . 2.9 mp -142.44 162.03 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.771 ' HB2' HD23 ' A' ' 106' ' ' LEU . . . -131.23 161.32 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 m -118.57 119.77 35.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.611 HG22 ' HG ' ' A' ' 104' ' ' LEU . 21.7 t -145.02 115.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -172.17 -149.6 6.77 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.432 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.468 ' O ' HG22 ' A' ' 137' ' ' VAL . 53.6 p90 -169.67 120.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.765 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.55 -132.35 29.68 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.706 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.73 -4.67 15.16 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.866 2.377 . . . . 0.0 113.516 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 134' ' ' TYR . 5.2 m -109.04 119.58 58.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.4 m -125.09 108.92 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -101.48 114.47 28.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.811 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -109.6 145.97 35.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.37 148.67 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.696 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.657 HG23 HD12 ' A' ' 127' ' ' LEU . 61.0 m -123.36 152.02 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.7 122.53 33.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.615 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.636 ' N ' HD12 ' A' ' 144' ' ' ILE . 3.3 mp -108.48 91.87 9.12 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.17 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 C--N 1.345 0.359 0 C-N-CA 122.554 2.169 . . . . 0.0 112.221 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.628 HG23 HD13 ' A' ' 144' ' ' ILE . 13.9 m -123.21 152.97 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -123.63 125.23 44.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.616 ' HA ' HG22 ' A' ' 32' ' ' THR . 0.3 OUTLIER -104.04 122.72 45.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -96.69 140.74 30.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.433 ' HE1' ' HG1' ' A' ' 142' ' ' THR . 24.3 m95 -136.6 158.52 44.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -120.52 141.31 50.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -134.37 126.2 29.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.27 128.72 53.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.33 120.2 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.28 175.05 8.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -30.81 65.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 ttt -75.76 -33.72 60.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -53.56 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -64.86 -31.41 72.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.473 ' HE1' HD11 ' A' ' 14' ' ' ILE . 7.6 t80 -64.74 -31.0 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -57.21 -36.39 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.76 -40.43 95.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -64.09 -34.66 78.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.662 HG22 ' CD1' ' A' ' 18' ' ' TRP . 31.9 mm -70.52 -34.12 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.062 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.15 83.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.072 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -65.89 -47.93 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.5 p -60.37 -35.26 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.662 ' CD1' HG22 ' A' ' 14' ' ' ILE . 2.2 m95 -60.12 -52.3 65.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.875 0.369 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -90.69 149.55 22.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -103.91 105.2 15.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.14 134.02 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.61 147.82 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' O ' HG23 ' A' ' 28' ' ' ILE . 8.0 m-85 -138.99 135.09 33.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 27' ' ' TYR . 3.6 pt -156.02 132.92 6.27 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.69 166.63 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.471 2.114 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.73 -63.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 27.3 mt -136.03 124.37 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.7 t -123.3 163.14 21.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -118.83 147.86 18.41 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.0 146.37 17.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.625 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -152.18 166.45 31.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.771 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.701 ' C ' HD22 ' A' ' 58' ' ' LEU . . . -158.99 157.57 28.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.726 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.701 HD22 ' C ' ' A' ' 57' ' ' GLY . 2.9 mm? -127.08 146.99 50.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.75 150.72 20.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.026 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -159.47 160.93 35.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -126.08 137.45 53.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.29 136.99 37.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -52.99 -22.68 5.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.556 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -90.4 35.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.666 0.27 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 53.03 43.62 62.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.628 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -122.03 161.06 23.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 111.043 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.13 125.18 49.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -118.38 159.92 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.42 130.38 2.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.9 163.42 22.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.668 0.27 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 4.3 m-85 -119.98 118.78 31.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.604 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 85' ' ' ILE . . . -122.53 109.85 14.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.477 ' O ' HD12 ' A' ' 85' ' ' ILE . 2.2 mtt -143.48 169.88 16.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 111.247 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.32 129.96 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -106.62 114.17 28.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.999 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 98.31 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.844 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.63 179.76 5.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.7 m -80.57 -2.89 48.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.371 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -135.77 -47.53 0.67 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -60.66 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.811 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -125.93 165.38 18.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -66.84 132.14 47.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -132.98 98.85 15.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.568 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 59.0 Cg_endo -71.88 156.45 56.58 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.451 2.101 . . . . 0.0 112.281 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 73' ' ' MET . 4.2 mp -137.38 127.6 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.25 117.68 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.569 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.18 -156.09 7.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.929 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -157.04 138.29 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.741 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.66 155.88 17.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.583 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -115.83 116.82 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -145.72 168.08 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -129.87 113.23 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 p -95.15 135.69 36.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -135.4 113.95 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -96.72 133.96 23.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.48 88.41 1.17 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.52 2.147 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.48 -27.14 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.66 72.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.207 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -167.89 166.81 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 63.24 141.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.415 ' HB2' ' CE1' ' A' ' 134' ' ' TYR . 3.7 m120 -94.04 5.12 52.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.407 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.36 114.36 2.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -93.95 135.96 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.3 tp -116.1 154.24 30.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -165.82 139.07 5.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.1 mt -137.72 139.5 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 168.9 -172.0 43.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.58 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -117.32 171.01 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.444 HG21 HD21 ' A' ' 129' ' ' LEU . 27.9 p -137.99 117.98 13.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.18 116.85 21.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.55 158.85 27.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.4 m -101.68 145.06 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.4 p -112.91 133.17 55.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.568 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.544 0.211 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.643 ' O ' HD22 ' A' ' 123' ' ' LEU . 45.6 Cg_endo -68.38 161.07 46.39 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.456 2.104 . . . . 0.0 112.337 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 122' ' ' PRO . 4.1 mm? -131.68 100.12 16.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.39 148.19 73.09 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.407 2.071 . . . . 0.0 112.281 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.98 119.93 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.81 129.72 56.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.98 129.46 6.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.543 ' HD2' HG22 ' A' ' 144' ' ' ILE . 74.0 Cg_endo -75.46 130.06 12.49 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.496 2.13 . . . . 0.0 112.426 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 109' ' ' THR . 3.6 pp -150.3 171.39 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -131.29 164.76 24.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.7 m -120.29 129.13 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.05 115.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -133.89 177.94 18.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.682 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.444 ' O ' HG12 ' A' ' 137' ' ' VAL . 0.3 OUTLIER -165.89 122.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.613 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 66.4 -134.84 33.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.382 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -86.56 20.87 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.773 2.315 . . . . 0.0 112.967 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 134' ' ' TYR . 9.4 p -136.57 137.0 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 42.9 m -124.99 145.1 50.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -130.67 143.84 51.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -135.26 122.1 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 8.0 mtt -115.08 146.79 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.021 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 8.9 t -133.32 133.56 42.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' TYR . . . . . 0.425 ' HB3' ' CE1' ' A' ' 154' ' ' TYR . 13.6 p90 -135.9 133.53 37.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.041 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.543 HG22 ' HD2' ' A' ' 128' ' ' PRO . 2.3 pt -121.4 91.99 48.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo . . . . . 0 C--N 1.345 0.37 0 C-N-CA 122.555 2.17 . . . . 0.0 112.404 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.65 136.1 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 143' ' ' TYR . 2.5 m-85 -112.43 147.0 37.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.783 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.07 121.09 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -103.17 126.17 50.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.048 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -130.91 128.56 40.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 28.0 mtp -83.01 149.91 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.414 ' HB2' ' CE1' ' A' ' 27' ' ' TYR . 10.4 ttm180 -140.06 148.79 42.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -128.99 146.69 50.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -101.16 124.37 46.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -138.76 121.94 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.813 0.34 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -79.02 -37.18 39.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.2 mtp -66.73 -41.86 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 p -60.48 -32.76 71.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -73.66 -39.63 64.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -67.58 -36.06 80.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.45 ' HA ' HG22 ' A' ' 14' ' ' ILE . 3.6 mtm180 -77.45 -37.95 50.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.13 -39.91 90.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.16 -51.69 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 10' ' ' PHE . 19.2 tt -61.56 -43.18 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.06 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -64.37 -35.18 80.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -66.86 -52.24 45.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -59.91 -35.77 75.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -71.44 -42.43 68.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.648 ' HG3' HD22 ' A' ' 58' ' ' LEU . 2.8 tt0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -97.47 174.09 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -116.04 99.8 7.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.13 122.65 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.664 HD23 ' H ' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -92.03 149.95 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.664 ' H ' HD23 ' A' ' 26' ' ' LEU . 47.7 m-85 -137.18 120.31 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HD2' ' A' ' 29' ' ' PRO . 3.2 tp -144.0 134.23 11.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD2' HD12 ' A' ' 28' ' ' ILE . 54.5 Cg_endo -69.49 159.81 52.19 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.462 2.108 . . . . 0.0 112.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.39 -52.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.665 ' HB ' ' HB3' ' A' ' 156' ' ' ALA . 28.5 mm -112.22 131.45 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.1 p -150.14 148.41 28.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.1 m95 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.7 151.85 20.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.537 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.4 136.79 13.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.529 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 29.7 p90 -152.09 125.2 8.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.42 -165.21 12.46 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.558 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.648 HD22 ' HG3' ' A' ' 22' ' ' GLU . 2.0 pp -142.16 170.09 16.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.445 ' CB ' ' CH2' ' A' ' 67' ' ' TRP . 79.1 p -163.46 174.39 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -153.77 163.51 39.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -106.72 140.58 39.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -95.03 140.1 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -22.92 13.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.437 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -92.99 35.05 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.51 50.22 64.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.594 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.89 159.59 26.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.445 ' CH2' ' CB ' ' A' ' 59' ' ' SER . 4.0 t90 -136.85 108.58 7.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 5.7 p80 -134.13 152.07 51.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.76 164.19 30.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mt -102.17 165.98 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.701 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 12.5 m-85 -139.12 118.7 13.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.759 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -101.43 109.89 21.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.44 ' O ' HG22 ' A' ' 85' ' ' ILE . 1.1 mpp? -114.77 137.23 52.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.741 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.76 131.84 53.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.15 117.4 23.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -95.81 129.93 42.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.11 179.65 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 m -76.37 -30.95 57.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -36.02 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.53 118.77 32.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -165.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -55.5 124.44 17.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -106.17 98.88 20.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.63 150.94 28.23 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.563 2.176 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.523 HD12 ' OG1' ' A' ' 113' ' ' THR . 2.0 tt -153.76 124.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.185 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -115.04 117.91 31.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA2' ' CA ' ' A' ' 111' ' ' GLY . . . -122.62 135.93 10.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.504 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.413 ' CE1' ' HB2' ' A' ' 68' ' ' HIS . 4.3 t80 -92.02 110.03 21.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -96.24 125.78 8.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.95 112.01 18.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -140.36 155.17 46.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -95.06 133.19 39.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.1 146.08 27.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -143.81 143.09 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -96.27 104.08 16.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.422 ' HB3' HD12 ' A' ' 104' ' ' LEU . 46.8 Cg_endo -68.69 -172.81 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.386 2.057 . . . . 0.0 112.338 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -48.51 81.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.606 ' HB3' ' CB ' ' A' ' 102' ' ' PHE . . . -59.42 -51.82 68.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.4 t0 59.73 175.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 64.93 -75.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -88.62 -50.97 5.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.606 ' CB ' ' HB3' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -74.04 134.95 43.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.35 155.94 46.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.526 ' CD2' HG23 ' A' ' 132' ' ' VAL . 11.1 mt -139.33 163.0 33.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.26 159.06 28.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.53 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.2 OUTLIER -149.45 140.19 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.939 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.636 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 176.17 -160.53 28.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 1.3 m-85 -125.35 163.67 22.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 51.4 m -139.33 112.57 8.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.513 ' HB1' ' CD2' ' A' ' 126' ' ' LEU . . . -119.06 129.25 55.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.404 ' CA ' ' HA2' ' A' ' 87' ' ' GLY . . . -145.38 -179.24 21.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.734 HG12 ' HA ' ' A' ' 124' ' ' PRO . 14.8 m -141.99 150.44 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 111.077 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.523 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -98.98 127.21 44.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.765 0.317 . . . . 0.0 111.384 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.23 151.03 15.68 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.604 2.203 . . . . 0.0 112.245 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.74 86.92 42.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.734 ' HA ' HG12 ' A' ' 112' ' ' VAL . 30.9 Cg_exo -61.61 140.0 84.31 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.646 2.23 . . . . 0.0 112.211 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.476 HG12 ' CD2' ' A' ' 127' ' ' LEU . 21.3 t -150.05 116.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.513 ' CD2' ' HB1' ' A' ' 110' ' ' ALA . 7.9 mt -113.02 123.37 50.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 125' ' ' VAL . 0.5 OUTLIER -150.05 137.22 11.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 71.0 Cg_endo -74.5 143.46 30.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.501 2.134 . . . . 0.0 112.409 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.811 HD22 ' HG2' ' A' ' 140' ' ' GLN . 4.2 mt -137.9 155.21 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -139.05 139.83 37.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.4 t -104.67 114.23 28.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.526 HG23 ' CD2' ' A' ' 104' ' ' LEU . 11.8 p -144.99 123.02 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 160.22 -140.85 7.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.529 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -119.22 152.57 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.277 . . . . 0.0 110.646 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.492 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -43.55 -50.81 6.83 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.046 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 57.5 Cg_endo -71.97 -26.9 18.04 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.423 2.082 . . . . 0.0 112.778 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.631 ' O ' HG13 ' A' ' 137' ' ' VAL . 8.3 p -142.02 97.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.0 0.428 . . . . 0.0 111.239 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.558 HG23 ' HB2' ' A' ' 159' ' ' ARG . 1.6 t -97.64 144.85 26.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.588 ' CE1' ' HB1' ' A' ' 156' ' ' ALA . 2.2 t80 -104.79 119.21 38.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.811 ' HG2' HD22 ' A' ' 129' ' ' LEU . 1.9 tt0 -108.28 114.02 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' MET . . . . . 0.696 ' O ' HD23 ' A' ' 129' ' ' LEU . 0.2 OUTLIER -106.42 138.83 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 155' ' ' PHE . 1.2 t -119.57 147.62 44.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.65 105.98 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.963 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.29 130.13 23.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 C--N 1.345 0.368 0 C-N-CA 122.446 2.097 . . . . 0.0 112.348 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 65.5 t30 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.6 m -138.28 136.68 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -123.15 142.25 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.405 ' O ' HG22 ' A' ' 142' ' ' THR . 45.8 m-85 -108.38 141.82 39.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.665 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . . . -114.94 125.76 54.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 24.4 m0 -131.02 144.6 51.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -103.03 153.14 20.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.558 ' HB2' HG23 ' A' ' 138' ' ' THR . 54.6 mtm180 -130.92 140.01 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -112.13 139.27 47.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -89.94 118.37 29.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.59 140.83 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -31.23 71.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtt -71.75 -55.87 6.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.974 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -59.31 -31.3 69.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -67.02 -48.18 69.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.562 ' O ' HG22 ' A' ' 14' ' ' ILE . 67.2 t80 -60.22 -36.76 78.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -67.79 -41.39 83.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.66 -31.68 52.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -68.43 -53.78 21.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 10' ' ' PHE . 7.5 tp -60.42 -35.47 63.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.91 -35.09 64.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.66 -34.71 74.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.518 HG21 HH11 ' A' ' 60' ' ' ARG . 47.6 p -73.16 -31.65 64.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -73.32 -31.51 64.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -173.8 161.47 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.92 149.02 23.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -125.52 130.24 51.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.24 126.86 53.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -112.77 128.82 56.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.5 pt -149.47 147.63 23.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.98 111.92 3.28 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.595 2.197 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 158' ' ' MET . . . -90.19 -61.34 1.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.7 pt -155.05 162.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 t -138.48 169.98 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.921 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.594 -0.202 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.94 164.94 22.43 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.393 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.01 158.05 27.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.676 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -151.97 147.07 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.06 -157.26 8.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 mt -135.99 178.24 7.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -133.72 168.68 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.518 HH11 HG21 ' A' ' 17' ' ' THR . 30.6 mtp85 -156.35 148.93 23.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -100.24 127.77 46.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.58 136.83 32.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.84 -23.49 12.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.403 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -92.95 34.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.776 0.322 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.34 40.8 86.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.53 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.05 157.22 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -122.37 99.79 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.98 157.71 16.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.729 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.09 131.59 1.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.833 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.712 HD11 ' HB1' ' A' ' 86' ' ' ALA . 8.7 tt -98.61 156.63 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.581 0.229 . . . . 0.0 110.578 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.471 ' N ' HD23 ' A' ' 70' ' ' LEU . 17.0 p90 -146.09 118.65 8.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.781 0.324 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.4 110.03 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 36.7 ttp -116.65 132.71 56.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.81 131.39 55.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 75' ' ' PHE . 15.9 p90 -119.71 138.82 53.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -96.75 129.59 44.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.74 167.05 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -5.3 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.405 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.64 -47.69 0.33 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.936 0.398 . . . . 0.0 110.769 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -75.73 -173.17 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.793 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -102.69 178.34 4.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -61.07 144.26 53.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -131.57 117.34 16.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -81.97 148.12 15.24 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.598 2.199 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 112' ' ' VAL . 4.3 mp -142.92 119.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.712 ' HB1' HD11 ' A' ' 70' ' ' LEU . . . -107.25 117.84 35.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -118.28 135.79 11.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.37 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.7 ' CZ ' HD12 ' A' ' 70' ' ' LEU . 89.0 m-85 -93.01 110.3 21.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 111.005 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.879 ' CA ' HG22 ' A' ' 109' ' ' THR . . . -95.74 133.68 11.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.444 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.401 ' CZ3' ' O ' ' A' ' 88' ' ' TYR . 27.0 p90 -132.56 118.11 18.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -145.69 168.02 21.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 m -112.68 106.43 14.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.8 p -95.03 145.5 24.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -138.42 141.53 39.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.1 129.37 28.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.82 -169.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.472 2.115 . . . . 0.0 112.239 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.06 -34.82 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.99 -48.42 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.8 149.07 40.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.016 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -110.35 -31.87 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -59.83 -40.8 89.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 134' ' ' TYR . 1.1 t80 -70.61 143.4 51.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -136.5 151.54 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.8 tt -153.81 119.74 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.544 ' O ' HD22 ' A' ' 106' ' ' LEU . . . -145.52 169.08 27.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.464 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.544 HD22 ' O ' ' A' ' 105' ' ' GLY . 0.4 OUTLIER -138.83 151.47 47.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.3 -147.95 9.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.67 165.17 28.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.879 HG22 ' CA ' ' A' ' 89' ' ' GLY . 17.1 p -143.87 124.71 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.713 ' HB2' HD12 ' A' ' 126' ' ' LEU . . . -99.43 113.96 26.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.04 109.74 3.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.612 ' O ' HG23 ' A' ' 85' ' ' ILE . 21.6 t -103.25 132.38 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.418 ' HA ' HG23 ' A' ' 85' ' ' ILE . 4.0 t -98.94 140.83 32.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 122' ' ' PRO . 2.1 pp . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.717 0.294 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.669 ' O ' HD12 ' A' ' 121' ' ' ILE . 34.2 Cg_endo -64.4 163.01 28.21 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.616 2.211 . . . . 0.0 112.255 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.3 tp -128.01 99.57 25.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.51 ' HB3' HG22 ' A' ' 112' ' ' VAL . 74.1 Cg_endo -75.34 156.23 41.48 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.545 2.163 . . . . 0.0 112.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.619 HG12 HD13 ' A' ' 127' ' ' LEU . 21.3 t -149.97 115.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.789 ' O ' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -95.94 125.27 40.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 126' ' ' LEU . 4.7 mp -142.47 156.63 63.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.79 125.05 12.14 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.689 2.259 . . . . 0.0 112.212 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.693 HD11 ' OE1' ' A' ' 140' ' ' GLN . 0.2 OUTLIER -130.73 152.58 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 141' ' ' MET . . . -137.94 168.19 20.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.1 m -139.35 113.98 9.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.09 126.36 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.61 -158.3 20.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.582 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.413 ' HB3' ' CD2' ' A' ' 102' ' ' PHE . 33.9 p90 -170.91 126.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.815 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.95 -131.31 25.5 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.381 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.6 5.07 6.37 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.623 2.215 . . . . 0.0 113.043 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.6 t -112.99 116.75 53.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.809 0.338 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 69.6 m -125.05 115.41 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.015 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -109.12 118.24 36.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.693 ' OE1' HD11 ' A' ' 129' ' ' LEU . 2.6 pt20 -103.95 131.33 51.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.009 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' MET . . . . . 0.63 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 9.5 mmt -85.05 135.07 34.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.66 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.45 HG23 ' CD2' ' A' ' 129' ' ' LEU . 2.9 m -128.65 142.68 50.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' TYR . . . . . 0.647 ' O ' HD23 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -144.57 160.65 40.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.726 HD12 HD21 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -124.45 91.78 49.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.115 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 C--N 1.345 0.35 0 C-N-CA 122.696 2.264 . . . . 0.0 112.23 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.838 0.351 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.9 t -118.17 141.71 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -105.81 147.13 28.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -137.67 129.92 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.23 122.05 46.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.54 144.67 41.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' MET . . . . . 0.5 ' HB2' ' HB2' ' A' ' 30' ' ' ALA . 1.2 mtt -103.0 137.29 41.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -129.27 126.57 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.91 142.71 51.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.58 120.12 31.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.412 ' O ' HD12 ' A' ' 163' ' ' LEU . 10.4 t80 -109.96 144.55 38.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 162' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -62.49 -40.83 97.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.6 mtm -64.48 -39.03 93.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -63.1 -31.94 73.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 -38.06 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.12 -43.08 58.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -30.96 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -31.34 67.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 17' ' ' THR . 1.9 t30 -78.19 -46.6 20.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.78 -37.93 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.79 98.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -67.37 -42.0 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 13' ' ' ASN . 31.7 p -62.35 -46.18 89.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -66.28 -33.56 76.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -136.81 168.51 19.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.37 108.73 15.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.57 147.03 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mp -117.4 147.18 42.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.731 ' O ' HD13 ' A' ' 28' ' ' ILE . 9.5 m-85 -128.79 117.74 21.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.731 HD13 ' O ' ' A' ' 27' ' ' TYR . 23.9 mm -140.2 138.82 19.74 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.26 149.19 23.02 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.452 2.101 . . . . 0.0 112.248 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' HG3' ' A' ' 158' ' ' MET . . . -124.08 -69.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 30' ' ' ALA . 19.6 pt -158.36 170.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 t -155.06 147.73 24.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 5.0 t90 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.41 -168.89 25.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.57 -144.08 6.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.546 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -130.89 173.9 10.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.39 164.58 29.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.543 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.19 168.03 19.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 m -142.15 169.36 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.34 144.32 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -110.95 119.96 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' HB2' ' CB ' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -100.08 137.03 39.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -22.87 6.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.572 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 35.07 0.92 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.12 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.39 47.55 68.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.849 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -121.98 111.31 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.928 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -97.98 93.07 6.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -78.79 162.83 25.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.76 141.62 6.47 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.79 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.869 HD22 ' CE1' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -132.36 166.22 22.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 179.862 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.499 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 10.1 p90 -152.09 118.49 5.63 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.613 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 85' ' ' ILE . . . -102.07 109.95 21.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.608 ' HB2' HD11 ' A' ' 85' ' ' ILE . 38.6 mtp -119.84 156.15 31.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB1' ' NE1' ' A' ' 82' ' ' TRP . . . -121.74 130.25 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -109.58 131.64 54.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -111.65 118.31 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.71 -175.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.7 m -69.58 -34.83 74.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -103.62 -73.94 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -166.54 105.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -162.22 88.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.422 ' NE1' ' HB1' ' A' ' 74' ' ' ALA . 4.0 t90 -73.02 130.38 40.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.22 98.76 4.3 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.07 160.05 40.37 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.517 2.145 . . . . 0.0 112.39 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.629 ' O ' HD12 ' A' ' 85' ' ' ILE . 2.4 pp -149.69 119.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -115.94 122.93 46.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.61 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -103.55 164.44 15.5 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.979 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.869 ' CE1' HD22 ' A' ' 70' ' ' LEU . 7.4 m-85 -156.08 130.92 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.693 0.282 . . . . 0.0 110.807 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.61 174.73 42.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.606 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.42 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 70.6 p-90 -126.82 146.38 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 110.839 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -143.65 157.9 44.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 m -102.79 125.07 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.1 p -80.5 139.22 36.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -133.95 115.27 14.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.43 ' HD2' ' CE1' ' A' ' 103' ' ' HIS . 1.1 ttt180 -133.66 141.58 40.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.01 168.22 21.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.534 2.156 . . . . 0.0 112.289 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.61 -40.39 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.21 71.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 60.43 84.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.8 -176.66 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -62.22 -32.01 72.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.35 124.45 20.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.43 ' CE1' ' HD2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -123.38 137.81 54.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 104' ' ' LEU . 4.3 mm? -116.7 139.15 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.621 ' C ' HD12 ' A' ' 106' ' ' LEU . . . -153.76 125.55 1.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.621 HD12 ' C ' ' A' ' 105' ' ' GLY . 11.0 mp -127.93 133.57 49.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.13 179.31 48.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.402 ' HD2' HD23 ' A' ' 126' ' ' LEU . 4.4 m-85 -104.53 154.81 19.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.5 ' OG1' HD12 ' A' ' 129' ' ' LEU . 44.7 p -139.49 142.5 37.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.88 114.01 27.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -86.33 109.67 3.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.28 117.15 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.577 ' HA ' HG22 ' A' ' 85' ' ' ILE . 26.2 m -99.04 148.91 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.491 0.186 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 162.87 1.81 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.398 2.065 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 123' ' ' LEU . 9.0 tt -114.89 86.99 14.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.83 160.38 48.03 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.537 2.158 . . . . 0.0 112.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.581 HG12 ' CD2' ' A' ' 127' ' ' LEU . 21.5 t -147.56 116.0 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.038 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -83.0 114.06 21.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.019 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.581 ' CD2' HG12 ' A' ' 125' ' ' VAL . 0.2 OUTLIER -150.04 144.52 17.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 53.2 Cg_endo -69.28 142.84 51.2 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.517 2.144 . . . . 0.0 112.337 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.5 HD12 ' OG1' ' A' ' 109' ' ' THR . 0.5 OUTLIER -141.67 131.33 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -105.72 163.32 12.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -144.92 124.85 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.45 129.51 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.763 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -109.21 140.85 15.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.772 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -158.13 111.79 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.175 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.49 -136.56 50.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.891 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -89.77 29.89 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.792 2.328 . . . . 0.0 112.664 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.24 136.99 29.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.919 0.39 . . . . 0.0 111.406 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.13 119.9 29.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.662 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -104.09 144.08 32.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -130.47 130.4 44.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.3 ttm -120.23 129.98 54.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 129' ' ' LEU . 11.4 t -117.32 151.82 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.169 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 154' ' ' TYR . 4.1 m-85 -132.86 132.76 42.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.639 ' O ' HG23 ' A' ' 144' ' ' ILE . 1.0 OUTLIER -105.94 103.48 44.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.216 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo . . . . . 0 C--N 1.346 0.445 0 C-N-CA 122.512 2.141 . . . . 0.0 112.184 179.874 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.817 0.342 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 154' ' ' TYR . 12.3 p -134.05 154.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.429 ' HB3' ' CE1' ' A' ' 143' ' ' TYR . 20.9 p90 -134.03 146.86 50.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -116.5 161.04 19.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.782 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.423 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -112.6 160.33 17.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -152.4 132.88 13.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' MET . . . . . 0.704 ' HG3' ' HB2' ' A' ' 30' ' ' ALA . 26.6 mtt -99.83 138.68 36.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -130.36 136.62 49.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.05 135.13 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.772 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -94.77 121.69 36.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.99 135.41 37.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.0 mmm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.37 -174.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.17 -56.23 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.09 -28.83 57.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.711 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.44 -40.6 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -69.83 -31.07 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.2 ttt -72.37 -55.06 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -58.19 -30.79 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.27 -46.23 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD2' HD11 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -76.0 -44.88 37.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -30.22 67.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.029 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.93 -36.11 67.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.037 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 17' ' ' THR . 12.6 t30 -78.94 -36.68 41.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.625 HD11 ' CD2' ' A' ' 10' ' ' PHE . 15.4 mt -78.08 -36.0 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.261 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.12 64.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.272 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.91 -28.05 61.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.092 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 13' ' ' ASN . 19.0 p -81.07 -25.12 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.27 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -95.76 -28.45 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.242 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -83.84 -37.21 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.086 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -108.08 80.53 1.09 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.53 -173.93 1.49 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.577 2.184 . . . . 0.0 112.188 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 60.29 110.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -110.65 147.49 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -77.08 107.67 9.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.11 154.7 17.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 pp -149.84 133.35 16.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD1' ' HA3' ' A' ' 55' ' ' GLY . 24.8 p90 -127.5 159.83 33.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 29' ' ' PRO . 2.6 pp -154.33 158.72 32.38 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.51 ' O ' HD12 ' A' ' 28' ' ' ILE . 61.3 Cg_exo -51.76 148.01 23.11 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.555 2.17 . . . . 0.0 112.367 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.31 -65.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.749 HG13 ' HB3' ' A' ' 156' ' ' ALA . 21.3 pt -153.75 132.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 t -133.79 155.78 49.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -97.78 161.99 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -112.45 140.7 46.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.646 ' HB2' ' CG2' ' A' ' 153' ' ' VAL . . . -102.99 -38.87 7.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -55.58 32.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 59.75 27.7 17.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.02 163.16 12.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.24 87.56 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.675 ' HB3' HG21 ' A' ' 44' ' ' THR . 3.8 m-20 -59.51 113.05 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -149.46 31.51 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -112.4 -60.65 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.66 36.29 3.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.675 HG21 ' HB3' ' A' ' 40' ' ' ASP . 4.9 t -151.66 36.13 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -64.61 -31.93 73.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -130.26 166.06 21.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.28 122.15 14.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -116.8 140.98 48.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.85 122.09 46.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -114.39 146.54 36.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.45 171.54 17.5 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.551 2.167 . . . . 0.0 112.321 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -122.94 -177.86 3.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.38 -177.85 16.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.565 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -118.81 132.94 9.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' HA3' ' CD1' ' A' ' 27' ' ' TYR . . . -101.36 140.81 15.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.53 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -152.02 174.17 13.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.716 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.88 179.59 29.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.643 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -140.36 170.73 15.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -141.15 159.75 41.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -140.36 164.71 29.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -127.94 147.72 50.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' HB2' ' HB3' ' A' ' 66' ' ' ASN . 6.5 t0 -119.21 141.43 48.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.03 -20.73 26.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.382 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -92.08 34.99 0.99 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.744 0.307 . . . . 0.0 111.175 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.47 46.97 91.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.627 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB3' ' HB2' ' A' ' 62' ' ' ASP . 3.5 t-20 -117.32 148.47 41.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.431 ' CE3' HG21 ' A' ' 93' ' ' THR . 19.3 t-105 -126.48 101.1 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.05 134.85 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.587 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -122.01 112.93 2.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.716 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 87' ' ' GLY . 4.3 mm? -124.93 130.98 53.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.657 0.265 . . . . 0.0 110.655 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CE2' HG21 ' A' ' 109' ' ' THR . 23.2 m-85 -114.84 152.37 32.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.969 0.414 . . . . 0.0 110.971 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.38 109.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.622 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.403 ' HG3' ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -154.08 175.63 13.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.94 130.84 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.999 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -111.46 144.31 40.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -106.89 133.52 51.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -91.32 170.02 10.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.5 p -66.92 -30.68 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.424 ' CH2' ' HG3' ' A' ' 81' ' ' LYS . 54.3 p-90 -100.52 31.37 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.09 109.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HG3' ' CH2' ' A' ' 79' ' ' TRP . 0.0 OUTLIER -175.81 118.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -94.32 122.92 37.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -107.68 98.74 25.85 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.874 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 73.9 Cg_endo -77.51 134.22 13.68 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.555 2.17 . . . . 0.0 112.339 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.556 ' CD1' HG23 ' A' ' 113' ' ' THR . 19.5 mm -124.76 138.78 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . . . -138.15 121.1 16.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.726 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -103.9 151.75 17.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.463 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.421 ' HD2' HD11 ' A' ' 70' ' ' LEU . 50.4 t80 -157.25 114.75 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.817 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.23 -161.98 22.78 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.56 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -128.63 144.9 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.736 0.303 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -137.46 148.1 45.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -110.27 105.31 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.431 HG21 ' CE3' ' A' ' 67' ' ' TRP . 3.4 t -104.37 127.68 52.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -94.8 142.45 27.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 -108.25 146.56 33.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.12 -167.75 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.536 2.158 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mp -93.12 -73.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.32 -52.07 25.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -66.75 -177.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.06 -45.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -59.24 -44.32 92.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -62.71 117.58 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -125.86 143.96 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 105' ' ' GLY . 1.7 tt -144.33 127.09 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.571 ' N ' HD23 ' A' ' 104' ' ' LEU . . . -179.32 -174.47 45.43 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 105' ' ' GLY . 5.3 mp -144.76 170.9 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.24 -167.04 31.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -134.2 126.04 29.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.492 HG21 ' CE2' ' A' ' 71' ' ' TYR . 3.2 m -127.88 140.4 52.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.7 113.99 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.737 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -92.71 141.29 15.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 86' ' ' ALA . 35.5 m -115.86 117.8 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.556 HG23 ' CD1' ' A' ' 85' ' ' ILE . 2.3 m -99.08 111.83 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.874 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . -82.37 152.05 26.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.265 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -158.04 130.0 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.29 107.55 15.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.94 169.33 2.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 -98.83 32.79 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -165.75 -43.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.98 48.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.79 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.96 159.03 73.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.98 121.59 7.73 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.563 2.176 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mt -128.0 140.78 39.19 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.55 160.82 25.28 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.63 2.22 . . . . 0.0 112.394 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 111' ' ' GLY . 28.8 m -150.09 142.65 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mt -94.26 127.85 40.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.592 HD11 HG22 ' A' ' 144' ' ' ILE . 4.4 tp -149.95 117.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 143' ' ' TYR . 72.9 Cg_endo -76.13 135.14 16.73 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.435 2.09 . . . . 0.0 112.371 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.578 HD23 ' OG1' ' A' ' 142' ' ' THR . 3.3 mp -131.24 177.75 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -146.74 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.1 m -126.9 117.64 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 132' ' ' VAL . 11.6 p -145.08 117.6 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.24 -169.68 38.01 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -165.41 120.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.764 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.7 -130.21 22.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.38 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -79.71 2.16 8.62 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.596 2.197 . . . . 0.0 112.877 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.4 t -110.82 98.94 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.853 0.359 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 88.8 m -111.39 126.76 55.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.623 ' HE1' ' HB1' ' A' ' 156' ' ' ALA . 0.2 OUTLIER -106.3 123.45 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.95 116.78 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 7.2 mtt -110.33 149.22 30.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.578 ' OG1' HD23 ' A' ' 129' ' ' LEU . 65.5 m -157.0 121.11 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' TYR . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 128' ' ' PRO . 9.1 p90 -112.76 156.36 22.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.592 HG22 HD11 ' A' ' 127' ' ' LEU . 2.0 pt -129.25 91.99 40.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.89 157.8 58.91 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.626 2.217 . . . . 0.0 112.345 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -156.59 -84.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 74.4 p -127.75 -61.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -168.91 -60.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -89.38 -42.94 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -98.39 27.09 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -156.14 63.87 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.574 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -173.56 57.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.646 ' CG2' ' HB2' ' A' ' 35' ' ' ALA . 21.4 t -108.0 157.09 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.443 ' N ' HG12 ' A' ' 153' ' ' VAL . 86.2 m-85 -127.46 142.76 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -121.06 147.3 45.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.749 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -139.39 126.13 20.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.47 ' CD1' ' HA ' ' A' ' 29' ' ' PRO . 22.6 m0 -137.6 159.49 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.4 mtt -85.85 150.33 24.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -143.85 133.31 23.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -128.7 143.38 50.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -100.27 110.95 23.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -131.82 172.74 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 37.7 tp -124.06 133.25 53.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 63.41 -78.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 62.99 31.35 16.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -130.47 -46.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -168.85 156.74 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -120.05 -66.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 8.0 t60 68.47 -68.04 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.824 0.345 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -133.1 -172.17 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.17 -56.12 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -74.29 -28.75 61.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.603 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.63 -32.1 68.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.765 ' O ' HG22 ' A' ' 9' ' ' THR . 0.7 OUTLIER -73.11 -29.89 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 ttm -77.85 -28.98 50.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -57.24 -44.01 83.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 6' ' ' TRP . 11.0 t -59.78 -29.99 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -42.0 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.698 ' HA ' HD12 ' A' ' 14' ' ' ILE . 6.0 ttm-85 -63.36 -37.03 85.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -35.17 75.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -62.55 -42.63 99.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 11' ' ' ARG . 4.7 mt -64.46 -42.0 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.95 86.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -69.34 -38.07 77.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 p -71.47 -36.5 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -65.92 -35.17 79.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -78.02 -42.39 32.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -80.14 150.98 72.33 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.25 153.76 9.12 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.619 2.213 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.07 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -127.83 161.62 28.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -120.91 98.48 6.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -93.02 120.82 33.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 56' ' ' PHE . 3.5 mm? -102.32 135.16 44.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.423 ' CD1' ' HG2' ' A' ' 159' ' ' ARG . 10.0 m-85 -125.8 138.95 53.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pp -155.3 154.44 28.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.68 135.02 31.94 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.593 2.196 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.68 -75.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.676 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 1.3 tt -147.57 142.37 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.668 HG21 ' CE2' ' A' ' 155' ' ' PHE . 4.3 t -139.06 174.28 10.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -94.22 151.33 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -95.03 127.4 41.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.47 167.69 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -146.65 30.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -159.33 29.76 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.01 154.01 18.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.067 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.41 85.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -88.04 115.66 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.49 36.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.13 -66.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -162.22 -67.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.63 -62.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -118.65 -72.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -164.81 110.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.62 -36.28 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.812 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -83.42 166.92 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -129.72 117.52 20.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -67.15 149.83 98.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 172.03 13.93 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.559 2.173 . . . . 0.0 112.274 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -84.45 105.61 15.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.89 135.84 12.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.24 129.14 9.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -102.21 144.55 16.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.595 ' HB2' ' HB3' ' A' ' 72' ' ' ALA . 69.7 m-85 -152.06 173.96 14.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.735 0.303 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.17 159.64 29.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.549 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 59' ' ' SER . 7.7 tt -115.05 138.46 50.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.309 . . . . 0.0 110.768 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.625 ' O ' HD23 ' A' ' 58' ' ' LEU . 11.0 t -90.35 153.53 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.033 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.76 159.85 30.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -137.53 144.15 41.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -109.06 141.41 41.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -23.56 9.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.421 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -93.1 35.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.676 0.275 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.81 50.91 58.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.557 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -122.08 161.08 23.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.913 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.11 121.03 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -121.39 162.87 19.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.05 158.87 25.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.549 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.68 HD21 ' CZ ' ' A' ' 88' ' ' TYR . 7.4 mp -108.9 166.04 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 110.69 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 3.0 m-85 -116.96 118.75 33.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.779 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 56' ' ' PHE . . . -114.49 109.84 18.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.877 ' HB3' HD13 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -123.36 152.66 41.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.81 130.01 14.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -111.5 121.83 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 118.96 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.8 -174.95 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.8 p -81.02 -35.04 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -178.16 38.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -109.3 -77.58 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -178.74 151.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 82' ' ' TRP . 1.3 m95 -77.42 151.06 34.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.96 98.81 51.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.638 ' C ' HD12 ' A' ' 85' ' ' ILE . 86.3 Cg_endo -83.08 155.65 14.88 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.616 2.21 . . . . 0.0 112.424 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.877 HD13 ' HB3' ' A' ' 73' ' ' MET . 5.1 mp -147.12 132.58 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.11 117.9 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.18 -172.76 12.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.824 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.68 ' CZ ' HD21 ' A' ' 70' ' ' LEU . 47.4 m-85 -143.94 114.3 7.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.706 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -110.85 146.25 17.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.65 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -115.08 111.9 21.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.74 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -124.77 163.37 22.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t -142.02 107.86 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.7 t -84.68 145.77 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -144.49 129.86 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -85.2 126.56 67.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.68 -168.26 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.413 2.075 . . . . 0.0 112.275 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.1 tp -98.54 -31.03 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.19 -51.36 25.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.55 155.81 20.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -108.15 -58.01 2.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -64.15 -37.92 89.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -72.66 114.01 10.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -113.87 136.12 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.654 ' HG ' HG12 ' A' ' 132' ' ' VAL . 2.8 tt -118.66 119.8 35.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -131.77 178.94 17.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.612 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 2.9 mt -149.27 156.57 42.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.54 -164.14 33.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 108' ' ' PHE . 3.8 m-85 -136.21 170.95 15.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.76 0.314 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.626 ' OG1' HD21 ' A' ' 129' ' ' LEU . 80.6 p -142.76 129.71 20.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.546 ' CB ' HD23 ' A' ' 126' ' ' LEU . . . -134.43 114.77 13.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -136.38 -173.02 12.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.47 136.63 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.337 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.4 p -111.84 128.68 56.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.423 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . . . -85.99 117.05 24.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.79 135.09 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -97.25 104.93 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -140.97 -47.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -95.4 -64.4 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -160.71 -63.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -166.61 44.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.0 pt -112.27 92.91 20.2 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.24 162.99 1.77 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.47 2.113 . . . . 0.0 112.378 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.37 104.84 53.1 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.792 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.28 155.66 68.52 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.419 2.079 . . . . 0.0 112.37 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 127' ' ' LEU . 12.3 p -145.0 135.02 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.627 ' C ' HD12 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -146.88 120.38 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.627 HD12 ' C ' ' A' ' 126' ' ' LEU . 4.9 mp -149.95 146.86 21.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.408 ' HB3' ' CD2' ' A' ' 108' ' ' PHE . 65.7 Cg_endo -73.76 153.01 48.15 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.53 2.153 . . . . 0.0 112.409 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.626 HD21 ' OG1' ' A' ' 109' ' ' THR . 0.4 OUTLIER -169.1 150.3 4.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.612 ' HB2' ' CD2' ' A' ' 106' ' ' LEU . . . -107.0 179.96 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -150.73 136.39 18.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.654 HG12 ' HG ' ' A' ' 104' ' ' LEU . 30.0 m -139.22 115.88 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -98.82 153.16 19.8 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.614 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -155.98 111.95 3.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.45 -133.26 51.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.111 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -88.07 23.56 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.715 2.276 . . . . 0.0 112.842 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.1 m -142.12 143.82 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.904 0.383 . . . . 0.0 111.184 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 91.5 m -124.99 132.81 53.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.85 144.0 37.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.52 144.16 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.3 mmt -133.29 130.39 38.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.7 t -120.22 152.05 38.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -130.9 137.03 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.03 91.95 37.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.1 139.05 29.06 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.507 2.138 . . . . 0.0 112.282 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -146.15 -145.65 4.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 148' ' ' TYR . 5.9 t -60.11 -48.17 82.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.423 ' N ' HG23 ' A' ' 147' ' ' THR . 0.2 OUTLIER -177.13 -72.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -86.74 -40.7 14.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.09 -25.08 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -126.38 80.61 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -165.56 32.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 32.6 t -114.14 151.51 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -126.73 144.52 50.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.668 ' CE2' HG21 ' A' ' 32' ' ' THR . 7.0 m-85 -117.8 133.05 56.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -94.32 123.33 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.96 134.54 54.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.9 136.52 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.423 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 50.4 mtp180 -122.62 139.31 54.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -119.46 145.39 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.82 114.29 27.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.56 148.63 39.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.95 135.04 53.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.58 131.91 37.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -152.12 168.76 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -76.5 -31.0 57.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 60.46 100.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.1 -38.24 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -109.04 -31.7 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.918 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -122.2 25.16 9.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.26 -56.23 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.742 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.91 -28.9 58.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.715 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.8 -33.28 68.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -34.33 77.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 mmt -79.01 -33.25 45.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.7 p -66.48 -36.9 83.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -60.12 -33.58 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.73 -32.07 72.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -31.83 69.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -74.49 -40.01 62.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.46 -54.24 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 15' ' ' ALA . 2.6 pp -59.64 -37.17 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' N ' HD12 ' A' ' 14' ' ' ILE . . . -63.5 -37.32 86.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -64.78 -53.39 47.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -64.12 -31.22 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.39 -31.07 26.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -132.4 90.18 34.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.42 146.16 19.81 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.525 2.15 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -69.4 -63.87 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -164.1 160.88 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 1.3 m-85 -100.72 126.4 47.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -92.3 137.73 32.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.12 127.63 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 43.2 m-85 -118.65 127.48 53.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.682 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -139.87 151.75 66.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.31 116.05 2.58 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.62 2.214 . . . . 0.0 112.332 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.76 -58.89 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 5.7 tt -165.29 134.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.665 HG22 ' CD1' ' A' ' 155' ' ' PHE . 0.8 OUTLIER -108.25 172.7 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -103.09 135.3 45.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.04 116.56 32.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.621 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . . . -97.73 176.23 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.244 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -85.79 -54.19 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.973 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -114.79 66.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.621 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . . . -100.01 172.96 6.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.54 84.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.12 130.95 37.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -117.52 71.25 0.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -166.02 75.81 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -92.25 46.23 1.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 61.72 37.13 16.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.04 -177.96 2.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.21 -43.29 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -98.65 109.98 22.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -117.95 145.54 44.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -135.59 150.09 49.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.12 89.92 26.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.78 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.96 144.38 64.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.519 2.146 . . . . 0.0 112.355 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -134.62 162.77 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.37 179.37 21.67 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.92 175.64 13.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.11 -148.31 13.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.552 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.749 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 3.0 p90 -138.34 174.05 10.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.54 -175.71 35.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.563 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.443 ' CD2' ' CE1' ' A' ' 24' ' ' TYR . 3.5 mm? -116.84 147.27 42.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 p -148.17 133.57 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.0 mtm-85 -129.87 121.12 26.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.78 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -100.02 140.23 34.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -111.06 146.69 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.62 -19.11 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.491 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -90.56 35.21 0.88 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.645 0.26 . . . . 0.0 111.291 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.76 51.38 57.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.647 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -122.03 139.79 53.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 110.922 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.438 ' HZ3' ' HG ' ' A' ' 131' ' ' SER . 2.8 t90 -137.98 90.02 2.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.408 ' CD2' ' NE1' ' A' ' 90' ' ' TRP . 21.9 t-160 -113.71 131.69 56.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.57 154.33 21.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.73 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 88' ' ' TYR . 5.2 mp -90.02 166.04 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.84 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 45.4 m-85 -133.47 118.86 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.77 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -107.71 110.3 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -133.54 161.62 34.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.33 130.13 24.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.66 158.19 18.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -99.41 135.55 40.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.72 176.54 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.1 t -63.77 -31.9 73.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -88.68 -78.43 0.34 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -178.65 61.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -134.82 154.4 51.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -102.09 155.0 18.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -136.95 102.0 9.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.11 152.76 79.38 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.343 2.029 . . . . 0.0 112.144 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 113' ' ' THR . 30.4 mt -144.94 142.51 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.315 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -137.96 117.89 13.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.568 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.41 ' CA ' ' HA3' ' A' ' 111' ' ' GLY . . . -139.51 143.66 14.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.949 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.421 ' CD2' ' HG ' ' A' ' 70' ' ' LEU . 76.5 m-85 -93.87 131.08 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.745 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -113.62 134.13 11.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.408 ' NE1' ' CD2' ' A' ' 68' ' ' HIS . 12.9 m95 -122.21 111.85 17.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.829 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -135.31 158.87 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.2 m -109.46 124.89 51.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.422 ' HB ' ' CE1' ' A' ' 103' ' ' HIS . 53.0 p -81.5 131.93 35.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -132.94 120.65 21.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.78 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -113.37 137.04 21.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 51.2 Cg_exo -53.95 -171.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.496 2.13 . . . . 0.0 112.299 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.495 ' H ' HD12 ' A' ' 97' ' ' LEU . 1.2 mp -82.8 -31.39 28.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.03 -27.08 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 t0 64.14 81.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -132.17 -176.95 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -57.52 -30.78 65.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.79 98.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.422 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 5.8 t-160 -104.75 150.24 24.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 mp -146.02 119.96 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -134.37 175.26 20.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.428 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 tt -160.59 152.21 19.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.68 -148.01 9.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -139.0 171.0 14.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.341 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.686 HG21 HD12 ' A' ' 129' ' ' LEU . 2.9 t -138.84 114.54 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.509 ' HB2' ' HG ' ' A' ' 126' ' ' LEU . . . -124.42 116.72 23.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.055 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.41 ' HA3' ' CA ' ' A' ' 87' ' ' GLY . . . -148.82 -175.88 21.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.527 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.0 m -120.12 152.55 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.656 HG23 HG12 ' A' ' 85' ' ' ILE . 11.4 m -118.8 146.74 44.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -105.15 147.39 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.2 147.88 51.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.01 -79.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -176.05 66.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.809 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.9 m95 59.41 92.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -101.89 25.54 8.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 55.8 30.7 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.9 pt -152.57 92.95 3.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.3 158.16 48.93 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.454 2.103 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.581 HD23 HG13 ' A' ' 125' ' ' VAL . 2.9 tt -113.85 89.03 15.21 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.802 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.13 135.91 38.92 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.463 2.109 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.581 HG13 HD23 ' A' ' 123' ' ' LEU . 14.8 m -150.01 124.76 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.509 ' HG ' ' HB2' ' A' ' 110' ' ' ALA . 7.0 tt -112.89 126.6 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.567 ' CD2' HG23 ' A' ' 144' ' ' ILE . 3.5 mp -146.19 152.76 47.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.24 148.47 68.54 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.554 2.169 . . . . 0.0 112.294 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.686 HD12 HG21 ' A' ' 109' ' ' THR . 0.5 OUTLIER -151.94 130.0 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -100.18 167.12 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.438 ' HG ' ' HZ3' ' A' ' 67' ' ' TRP . 8.8 t -142.74 136.02 28.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.591 HG23 ' HB2' ' A' ' 139' ' ' PHE . 5.4 m -145.01 115.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.03 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.07 144.31 17.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.551 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -153.72 111.89 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.2 -134.18 52.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.094 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -88.62 27.79 0.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.717 2.278 . . . . 0.0 112.866 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 5.9 m -142.08 148.36 20.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.936 0.398 . . . . 0.0 111.341 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.09 118.2 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.765 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.591 ' HB2' HG23 ' A' ' 132' ' ' VAL . 5.0 m-85 -95.47 144.1 26.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -143.04 119.2 10.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.9 mtp -98.88 145.4 27.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 25.5 m -131.03 122.73 27.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -101.82 136.37 41.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.567 HG23 ' CD2' ' A' ' 127' ' ' LEU . 4.6 mt -127.45 91.97 44.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.98 167.44 24.72 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.521 2.147 . . . . 0.0 112.346 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -144.01 -99.18 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.0 t -99.1 -32.31 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.347 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.22 160.18 17.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -84.56 -31.69 24.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -65.05 -25.1 67.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.038 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 132.22 -174.8 20.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -136.94 -65.42 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.454 HG23 ' HB ' ' A' ' 144' ' ' ILE . 15.6 m -139.55 126.83 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -107.23 133.61 51.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.665 ' CD1' HG22 ' A' ' 32' ' ' THR . 21.6 m-85 -128.74 138.01 51.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -106.13 140.69 38.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -133.26 122.49 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -87.27 154.67 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 27.5 ttt-85 -135.21 144.63 47.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -139.88 143.08 36.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.06 111.32 22.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -123.63 164.99 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.465 HD23 ' H ' ' A' ' 163' ' ' LEU . 1.0 OUTLIER -115.03 142.65 46.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.94 117.77 9.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.13 166.0 30.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.06 29.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -96.84 153.0 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.28 81.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -77.24 178.71 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 5.0 t60 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.931 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 mmm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.811 0.338 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -123.42 -40.66 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.1 -56.12 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -75.14 -28.75 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.698 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.594 ' O ' HG22 ' A' ' 9' ' ' THR . 2.5 tm-20 -68.16 -31.09 70.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.63 -30.83 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.8 mmt -74.63 -31.1 61.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.6 p -73.65 -51.62 16.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 5' ' ' GLU . 2.2 t -59.68 -31.25 69.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -34.05 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -31.25 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -73.06 -31.16 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -72.53 -54.9 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 pt -59.79 -30.73 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.47 -41.95 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -63.19 -48.43 78.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -61.9 -30.97 71.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -80.52 -30.26 37.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -77.78 -66.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -85.16 112.67 45.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.42 -63.47 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.377 2.051 . . . . 0.0 112.269 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 58.58 100.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.41 144.99 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -71.01 125.74 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -100.93 114.05 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tp -99.98 138.49 36.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -137.12 124.87 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 tp -156.0 133.28 6.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.76 146.04 47.49 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.453 2.102 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.73 -49.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.581 ' HB ' ' HB3' ' A' ' 156' ' ' ALA . 3.8 mp -109.59 137.72 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.475 HG23 ' CE1' ' A' ' 155' ' ' PHE . 12.4 m -154.61 110.44 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.24 142.64 28.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -115.39 125.34 53.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.02 44.84 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.71 -52.05 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 60.66 31.06 20.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.33 -178.77 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -64.59 83.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -76.3 165.91 24.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.82 82.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -165.96 32.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -114.16 30.01 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.23 -38.28 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 62.06 78.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.7 mtt85 -99.46 -31.61 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -155.33 162.88 40.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -84.65 133.71 34.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.93 158.91 42.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -116.3 82.43 11.76 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.17 162.03 43.45 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.502 2.135 . . . . 0.0 112.261 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.7 m0 63.29 142.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.59 -175.46 47.2 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.532 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.29 176.7 41.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.04 -149.74 13.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.739 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 30.2 p90 -136.06 173.99 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.39 -158.93 12.13 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.495 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.5 mt -141.03 164.79 29.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.1 p -163.01 163.26 26.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -144.22 -175.94 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -127.76 128.25 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.39 146.54 28.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -53.01 -22.62 5.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.493 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -90.89 35.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.753 0.311 . . . . 0.0 111.223 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.08 49.53 58.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.682 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -122.04 161.0 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -132.2 109.49 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 90' ' ' TRP . 0.2 OUTLIER -126.89 136.88 52.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.82 149.33 14.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.634 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.54 ' H ' HD23 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -81.92 164.77 21.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.738 0.304 . . . . 0.0 110.813 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 5.8 m-85 -138.46 118.87 13.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.797 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -98.7 114.58 27.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.6 mtp -127.72 169.34 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -147.1 131.66 17.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -108.08 137.96 45.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.81 125.82 35.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -87.43 174.88 8.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.2 p -65.88 -30.9 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -72.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 179.55 -38.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -56.54 126.34 26.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -102.08 155.0 18.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.758 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.717 ' OE2' HG21 ' A' ' 113' ' ' THR . 7.6 pt-20 -114.18 121.22 36.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.631 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 57.9 Cg_endo -71.43 153.21 60.98 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.429 2.086 . . . . 0.0 112.181 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mt -137.33 120.01 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.282 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -124.42 117.86 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.66 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.7 141.33 9.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.914 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.43 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 23.0 m-85 -91.94 125.42 36.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 110.682 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.04 133.09 11.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.433 ' CD1' ' HB3' ' A' ' 68' ' ' HIS . 18.8 m-90 -113.85 115.61 28.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.749 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -138.16 155.34 48.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.98 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 m -117.24 108.31 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.2 m -75.83 137.68 40.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -118.33 143.99 46.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.83 112.01 30.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -51.59 -178.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.436 2.09 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -29.74 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.49 -29.69 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.11 88.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -146.68 176.05 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -60.05 -36.7 77.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.86 127.22 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.55 156.02 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.54 128.39 18.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.24 175.78 21.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -129.51 145.58 51.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.46 175.91 46.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.562 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 128' ' ' PRO . 7.6 m-85 -119.87 169.76 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.356 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 73.5 m -134.54 108.95 8.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.67 122.97 48.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.33 -164.2 10.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.2 t -149.92 142.81 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.067 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.717 HG21 ' OE2' ' A' ' 83' ' ' GLU . 4.6 m -101.06 119.31 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.631 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . -77.65 141.03 39.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.2 144.79 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -141.2 61.09 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -152.8 -55.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -68.66 -66.86 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -176.0 36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 58.53 64.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.8 mt -115.95 92.92 36.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.74 159.85 6.35 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.533 2.155 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 tp -138.99 94.08 10.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.21 144.69 63.73 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.487 2.125 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.7 t -147.37 141.62 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -119.23 142.05 48.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.895 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 126' ' ' LEU . 3.3 mp -147.98 117.03 4.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.42 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 64.6 Cg_endo -73.45 146.97 40.44 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.488 2.125 . . . . 0.0 112.343 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.4 pp -164.55 167.88 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.525 ' HB2' HD22 ' A' ' 106' ' ' LEU . . . -130.73 139.0 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 m -94.36 116.65 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.8 p -144.96 128.81 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.064 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.14 -155.21 11.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.547 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -144.77 112.02 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.974 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.59 -117.14 10.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.703 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.11 -17.57 27.98 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.483 2.122 . . . . 0.0 112.652 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.1 t -86.04 117.94 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 0.0 111.096 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.9 m -124.95 108.94 12.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -105.42 117.79 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.54 123.24 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 16.3 mtt -106.08 130.31 54.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.89 151.72 26.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -108.11 138.33 44.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.46 HD11 ' HD2' ' A' ' 155' ' ' PHE . 3.9 mt -120.96 91.96 48.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.4 126.02 13.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.49 2.127 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -129.87 -87.47 0.48 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.608 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.1 t -112.97 -45.44 3.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -60.13 168.48 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.08 -30.64 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -101.33 27.03 6.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.66 149.47 25.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.436 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ASN . . . . . 0.439 ' ND2' HG23 ' A' ' 153' ' ' VAL . 7.2 p-10 -130.24 -51.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.439 HG23 ' ND2' ' A' ' 152' ' ' ASN . 21.3 t -120.18 131.99 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -108.64 144.83 35.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.475 ' CE1' HG23 ' A' ' 32' ' ' THR . 0.1 OUTLIER -125.99 137.41 53.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.581 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . . . -118.21 143.65 46.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -140.47 123.36 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 8.5 mtm -90.91 130.67 36.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -126.09 133.98 51.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -134.54 146.99 50.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 134.14 45.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.62 125.14 45.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 165' ' ' HIS . 0.4 OUTLIER -79.6 137.1 37.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -31.9 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' HIS . . . . . 0.486 ' O ' HD22 ' A' ' 163' ' ' LEU . 0.7 OUTLIER -153.19 137.32 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -115.18 170.98 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -108.32 35.54 3.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.64 35.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -158.01 -60.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.947 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.882 0.373 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.4 ' HB2' ' CB ' ' A' ' 5' ' ' GLU . 1.9 m-20 -62.95 163.37 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.31 -56.11 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.03 -28.95 57.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.629 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 2' ' ' ASN . 10.5 tt0 -69.03 -31.2 69.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -66.39 -31.2 71.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.0 mtm -78.31 -33.14 49.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -64.26 -47.27 80.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -42.88 99.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.67 -31.44 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.73 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.95 -37.27 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.76 -42.69 97.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.64 -34.49 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.15 73.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -76.76 -45.89 27.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -30.5 70.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.75 -34.2 66.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -85.22 -66.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -131.69 97.19 19.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.85 -168.07 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.41 2.073 . . . . 0.0 112.339 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.9 -75.94 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.21 167.44 20.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -122.22 114.66 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -112.19 167.17 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.456 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -120.9 128.33 52.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -105.63 124.56 49.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.456 HD11 HD23 ' A' ' 26' ' ' LEU . 4.0 mp -141.63 136.09 15.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 28' ' ' ILE . 37.1 Cg_endo -65.76 116.41 3.94 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.425 2.084 . . . . 0.0 112.282 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.76 -76.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.42 ' H ' ' HB3' ' A' ' 156' ' ' ALA . 28.0 pt -150.98 171.03 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 t -145.32 163.72 33.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.6 t90 -88.24 127.47 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -105.47 140.6 38.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.4 171.71 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -149.1 31.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -75.28 -67.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.09 -176.14 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 85.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -108.11 148.83 29.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -155.73 -75.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -166.15 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -143.77 -54.81 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 m -157.2 -52.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -125.68 -67.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -164.78 149.26 9.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.23 148.03 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -100.39 106.64 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -116.81 108.93 16.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -121.65 153.54 59.71 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.14 135.81 30.44 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.512 2.141 . . . . 0.0 112.284 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -76.23 175.59 8.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.07 -143.66 26.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.35 166.65 34.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.77 175.9 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -148.02 141.64 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.832 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.654 ' C ' HD12 ' A' ' 58' ' ' LEU . . . -98.25 137.85 13.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.539 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 57' ' ' GLY . 5.1 mp -151.41 150.97 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.697 0.284 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.0 m -167.98 173.31 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.54 165.9 35.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -101.75 128.6 48.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -94.68 136.97 34.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.91 -22.85 6.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.542 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.57 35.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.696 0.284 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 53.21 43.8 64.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.685 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -122.04 161.09 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 111.031 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -124.37 94.42 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.79 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -70.57 124.81 25.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.88 120.59 6.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 1.3 tp -117.99 151.68 36.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.643 0.259 . . . . 0.0 110.808 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -137.92 165.05 27.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.02 109.95 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 mtp -126.99 177.08 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB1' ' HE1' ' A' ' 82' ' ' TRP . . . -162.2 130.89 4.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -123.24 151.6 42.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -130.94 131.11 44.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.81 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.89 -168.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.5 m -82.56 -34.95 27.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -100.24 37.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.25 105.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -158.77 86.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.427 ' HE1' ' HB1' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -74.44 126.05 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -130.35 98.79 20.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.967 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.673 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 94.9 Cg_endo -79.07 159.87 26.89 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.563 2.176 . . . . 0.0 112.324 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.465 HD12 ' HB ' ' A' ' 113' ' ' THR . 19.0 tt -164.08 136.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.221 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.06 148.87 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.76 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -103.83 157.23 17.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.418 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.412 ' HE1' HG13 ' A' ' 112' ' ' VAL . 31.1 p90 -157.19 110.01 2.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.47 -162.98 12.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.559 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 18.1 m-90 -123.69 145.64 48.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -146.84 150.39 35.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.7 p -115.98 99.93 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.3 p -94.98 125.72 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -125.0 143.71 50.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -131.87 138.98 33.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.76 158.48 43.08 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.432 2.088 . . . . 0.0 112.298 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mp -83.11 -31.24 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.96 -30.59 70.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.77 143.28 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -110.52 -30.61 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -31.55 67.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -82.44 133.87 35.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.516 ' C ' HD12 ' A' ' 104' ' ' LEU . 3.5 m80 -137.43 138.74 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.516 HD12 ' C ' ' A' ' 103' ' ' HIS . 8.4 mp -132.12 163.26 28.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.83 152.55 13.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mt -150.63 141.25 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.54 -176.21 44.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 128' ' ' PRO . 7.2 m-85 -114.93 157.23 23.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.585 ' OG1' HD21 ' A' ' 129' ' ' LEU . 78.8 p -139.35 142.57 37.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 88' ' ' TYR . . . -113.69 114.07 25.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.22 125.09 8.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.502 HG12 ' CA ' ' A' ' 124' ' ' PRO . 4.3 m -117.4 118.43 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.153 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.617 HG23 HD12 ' A' ' 123' ' ' LEU . 9.8 t -99.57 139.4 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.673 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . -82.14 125.23 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.84 171.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.07 -29.55 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.998 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -88.29 -168.55 2.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -119.02 74.19 0.97 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -115.71 -9.62 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.347 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 65.03 28.75 12.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.798 0.332 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.7 pt -112.85 92.91 22.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.72 156.85 56.69 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.532 2.155 . . . . 0.0 112.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.617 HD12 HG23 ' A' ' 113' ' ' THR . 10.8 mt -109.49 87.47 5.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.502 ' CA ' HG12 ' A' ' 112' ' ' VAL . 70.1 Cg_endo -74.64 148.75 37.5 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.617 2.211 . . . . 0.0 112.394 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.03 115.91 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.96 132.13 43.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 43.0 mt -149.82 131.69 7.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.427 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 72.6 Cg_endo -76.65 126.1 8.68 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.53 2.153 . . . . 0.0 112.251 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.585 HD21 ' OG1' ' A' ' 109' ' ' THR . 2.5 pp -142.13 155.62 45.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -109.27 166.64 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.3 p -129.93 131.73 46.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.472 HG23 ' HB3' ' A' ' 139' ' ' PHE . 16.4 m -141.23 116.06 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.058 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -108.37 158.19 14.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -155.36 112.0 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.724 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 61.61 -134.34 47.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.271 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -87.37 27.42 0.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.739 2.292 . . . . 0.0 112.746 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.03 149.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.176 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 26.5 m -124.93 145.05 50.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.472 ' HB3' HG23 ' A' ' 132' ' ' VAL . 0.4 OUTLIER -127.91 141.75 51.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.577 ' NE2' HD13 ' A' ' 129' ' ' LEU . 4.7 tp60 -132.72 144.0 49.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.0 tpp -140.76 137.48 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.545 HG23 ' HB3' ' A' ' 129' ' ' LEU . 14.2 m -124.08 119.19 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -127.37 162.08 27.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.655 ' O ' HG23 ' A' ' 144' ' ' ILE . 0.6 OUTLIER -135.91 91.99 16.97 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.65 145.63 64.33 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.599 2.199 . . . . 0.0 112.298 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 161.13 156.45 8.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 50.1 p -99.33 42.58 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.6 -177.98 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.03 -21.03 21.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -95.38 27.06 3.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.155 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -139.81 -157.61 7.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.32 60.09 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.0 m -151.68 137.72 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -129.14 127.46 41.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -108.59 130.0 55.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.42 ' HB3' ' H ' ' A' ' 31' ' ' ILE . . . -91.1 153.59 19.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.428 ' CZ3' ' HB3' ' A' ' 155' ' ' PHE . 0.0 OUTLIER -153.7 150.3 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -117.59 145.62 44.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -129.15 125.26 36.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.83 140.46 32.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.66 108.06 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -139.01 153.44 48.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 163' ' ' LEU . 2.8 pp -130.19 129.47 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -94.35 179.19 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -109.11 -44.23 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -140.98 150.74 43.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -60.63 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -63.52 111.05 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -91.91 116.13 28.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.854 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.841 0.353 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -108.51 34.82 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.14 -56.19 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -75.95 -28.9 58.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.673 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.08 -39.82 83.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -63.4 -34.31 77.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mmt -69.46 -31.77 70.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -64.89 -42.31 94.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.2 -38.35 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -42.08 70.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -59.48 -40.67 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -64.24 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -75.09 -57.03 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 pt -60.8 -29.8 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.85 -50.66 61.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -59.08 -32.3 69.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.8 m -71.22 -30.56 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -56.39 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.2 -38.42 86.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.17 143.52 45.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -73.53 -35.7 4.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.51 2.14 . . . . 0.0 112.32 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 61.19 77.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -158.78 126.74 5.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -100.12 109.41 21.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -92.83 147.21 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.65 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 2.6 mp -102.16 158.42 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -138.27 132.16 31.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.9 tt -155.65 138.98 10.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.48 153.12 14.42 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.457 2.105 . . . . 0.0 112.284 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' HB1' HD12 ' A' ' 31' ' ' ILE . . . -129.32 -67.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.447 HD12 ' HB1' ' A' ' 30' ' ' ALA . 3.8 mp -140.26 138.98 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 m -133.7 154.28 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -147.5 153.42 39.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -111.68 117.54 33.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.643 ' HB3' HG22 ' A' ' 153' ' ' VAL . . . -101.16 90.94 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mtp-105 -155.08 30.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 59.21 36.16 23.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.7 153.47 22.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.62 83.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -125.0 110.79 14.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.56 -68.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -157.29 29.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -116.85 -37.36 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m 63.1 90.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -65.39 -25.54 67.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.44 -172.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 t80 61.38 31.66 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -101.37 167.08 10.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -93.23 156.17 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -128.33 105.13 19.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.07 158.53 2.24 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.436 2.09 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -167.56 115.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.29 174.54 29.15 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 74' ' ' ALA . . . -172.36 -172.78 38.47 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.82 -170.27 43.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.65 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 6.1 m-85 -114.94 174.03 6.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.749 0.309 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.46 162.7 30.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -136.29 131.81 34.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -105.48 169.03 8.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.5 137.67 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -99.97 124.1 44.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -87.59 143.16 27.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.15 -23.09 12.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.395 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -93.31 35.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.62 51.9 53.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.656 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.36 158.77 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -136.58 96.04 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 2.8 p80 -134.02 152.03 51.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.37 174.93 46.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.57 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -104.17 162.07 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.668 0.271 . . . . 0.0 110.836 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 16.9 p90 -146.01 118.92 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.822 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.58 114.68 27.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.279 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -102.66 175.23 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.646 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 54' ' ' GLY . . . -150.61 130.5 13.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -116.39 116.1 27.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -82.96 131.88 35.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -115.4 134.58 54.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 79' ' ' TRP . 0.6 OUTLIER -59.28 -20.77 57.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.446 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 27.1 m-90 -128.27 -44.83 1.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.622 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.67 -161.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.649 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.57 179.71 4.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -60.16 124.2 19.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -104.54 99.07 16.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 70.0 Cg_endo -74.4 148.19 37.87 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.555 2.17 . . . . 0.0 112.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 113' ' ' THR . 18.9 mt -149.23 124.76 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -115.52 117.85 31.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -119.49 135.83 11.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.367 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 68' ' ' HIS . 8.9 t80 -110.03 113.69 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.988 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.48 ' HA3' HG22 ' A' ' 109' ' ' THR . . . -122.47 143.34 15.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.568 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 90' ' ' TRP . 41.2 p90 -120.01 120.97 37.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -135.36 167.87 20.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.6 t -103.85 129.87 51.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.886 HG22 ' CE1' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -98.54 130.08 45.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.988 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -136.16 146.23 46.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -124.93 148.59 60.33 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.09 -168.02 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.59 2.194 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.85 -34.09 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.04 -51.99 11.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -100.79 162.64 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -123.39 -38.1 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -62.34 -46.08 90.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -59.36 120.31 9.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.886 ' CE1' HG22 ' A' ' 93' ' ' THR . 0.3 OUTLIER -130.4 131.01 45.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.482 ' HB3' HG23 ' A' ' 132' ' ' VAL . 0.8 OUTLIER -128.68 138.71 52.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.74 161.53 28.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.539 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mp -142.79 151.2 40.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.51 -161.8 28.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.1 141.2 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.48 HG22 ' HA3' ' A' ' 89' ' ' GLY . 3.6 p -109.99 120.88 43.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.56 127.44 19.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -160.41 -147.98 5.1 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 m -135.33 148.23 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 111.24 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.793 HG23 HG12 ' A' ' 85' ' ' ILE . 77.7 m -113.05 137.45 51.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.422 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . -78.31 179.26 7.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.01 171.06 20.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -140.06 38.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.812 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -131.09 -48.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.424 ' CG ' HD12 ' A' ' 121' ' ' ILE . 76.1 m95 -81.02 -76.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -177.3 -66.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -159.85 30.76 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.424 HD12 ' CG ' ' A' ' 118' ' ' TRP . 32.1 mt -76.42 114.14 35.44 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.038 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.16 147.17 78.59 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.38 2.054 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.52 91.67 17.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.3 133.41 42.25 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.54 2.16 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.4 m -139.36 152.03 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.88 114.31 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.668 HD12 ' OG1' ' A' ' 142' ' ' THR . 0.3 OUTLIER -150.02 150.13 29.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 14.5 Cg_exo -68.77 139.14 43.0 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.66 2.24 . . . . 0.0 112.2 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 140' ' ' GLN . 9.2 tt -150.15 140.83 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.22 137.53 42.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.9 p -109.32 120.72 43.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 104' ' ' LEU . 12.2 p -144.98 131.75 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.36 -141.84 3.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -164.25 122.59 1.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.337 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.47 -130.38 23.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.373 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.54 2.78 8.08 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.495 2.13 . . . . 0.0 112.93 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.6 t -109.24 109.81 29.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.8 0.333 . . . . 0.0 111.205 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.408 ' HG1' ' HB3' ' A' ' 159' ' ' ARG . 29.1 p -125.03 108.95 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -84.93 125.94 33.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.508 ' HG2' HD21 ' A' ' 129' ' ' LEU . 28.3 mt-30 -121.24 113.92 20.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 39.5 mtm -117.28 151.44 36.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.668 ' OG1' HD12 ' A' ' 127' ' ' LEU . 1.5 t -129.49 141.59 50.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -116.08 108.41 16.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.403 HD12 ' HD2' ' A' ' 145' ' ' PRO . 3.3 tp -92.28 134.27 28.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.403 ' HD2' HD12 ' A' ' 144' ' ' ILE . 58.7 Cg_endo -71.91 168.12 24.78 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.451 2.1 . . . . 0.0 112.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 161.16 92.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 m 60.51 36.71 19.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -172.38 155.68 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -89.8 -35.68 15.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -75.85 -25.06 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 136.28 168.11 11.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -115.08 -66.13 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.643 HG22 ' HB3' ' A' ' 35' ' ' ALA . 21.2 t -110.47 154.02 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.401 ' N ' HG12 ' A' ' 153' ' ' VAL . 22.8 m-85 -125.56 139.04 53.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -132.96 136.23 45.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -119.51 137.86 53.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -138.06 137.12 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.6 ttp -97.88 134.32 41.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.408 ' HB3' ' HG1' ' A' ' 138' ' ' THR . 1.7 ttt180 -124.77 135.1 52.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.24 147.06 31.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -100.69 116.55 32.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.69 130.43 54.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.99 148.4 22.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -134.16 85.91 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -174.55 127.56 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -70.29 140.98 52.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -94.17 126.43 39.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 45.0 t60 60.51 110.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -102.41 -48.25 4.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.774 0.321 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -135.63 72.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.21 -55.98 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -76.19 -28.84 57.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.558 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -38.01 89.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -68.6 -35.67 77.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 ttt -70.57 -31.52 68.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -66.15 -41.28 90.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.8 t -74.17 -39.08 63.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.68 -44.3 82.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -50.17 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.69 -31.83 72.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.581 ' O ' HG23 ' A' ' 17' ' ' THR . 0.1 OUTLIER -69.21 -45.71 69.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.674 HG22 ' CD1' ' A' ' 18' ' ' TRP . 17.5 mt -72.42 -31.45 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -32.19 72.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -77.71 -42.93 32.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 13' ' ' ASN . 72.5 p -59.84 -52.54 65.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.674 ' CD1' HG22 ' A' ' 14' ' ' ILE . 17.9 m95 -60.58 -33.49 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -60.93 -32.19 71.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -107.57 79.48 0.81 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 56.9 Cg_endo -70.68 136.64 31.02 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.582 2.188 . . . . 0.0 112.311 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.21 -66.62 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -98.15 118.35 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.439 ' CE2' ' HG2' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -88.2 115.31 25.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -116.64 154.86 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.44 146.46 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' O ' HG23 ' A' ' 28' ' ' ILE . 54.9 t80 -138.98 118.98 13.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 27' ' ' TYR . 9.8 pt -155.93 158.54 31.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.9 165.62 0.78 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.595 2.197 . . . . 0.0 112.356 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.537 ' HB2' ' HG3' ' A' ' 158' ' ' MET . . . -142.69 -67.0 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tt -166.08 145.19 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.431 HG21 ' CE2' ' A' ' 155' ' ' PHE . 19.3 p -144.54 171.44 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -86.01 140.49 30.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.566 ' CE1' ' HA ' ' A' ' 41' ' ' LYS . 17.7 p80 -88.07 115.73 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -175.24 96.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -126.96 -58.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -164.12 -43.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.85 149.98 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.422 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 18.4 p90 -61.63 84.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -98.24 145.41 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -164.67 -40.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.37 42.26 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.806 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 61.13 30.95 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -99.26 35.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -80.33 178.2 8.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 31.52 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -166.34 159.63 15.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -118.03 114.41 23.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.51 137.21 54.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -130.47 79.93 71.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.02 145.26 44.44 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.574 2.183 . . . . 0.0 112.291 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -147.92 159.59 43.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.95 143.49 3.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.48 -162.43 32.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.24 -149.5 9.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.613 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 17.5 p90 -108.89 160.85 15.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.13 177.42 16.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 mp -138.58 175.05 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.365 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.3 p -153.67 146.29 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -132.93 121.5 22.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -99.95 113.75 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.9 OUTLIER -87.65 144.88 26.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -57.8 -18.95 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.464 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -89.87 35.08 0.84 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.623 0.249 . . . . 0.0 111.232 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.59 47.1 86.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.714 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 18.4 m-20 -122.04 151.86 40.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -137.7 92.06 2.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.75 155.31 40.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.21 124.26 4.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.637 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.618 HD23 ' H ' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -111.31 146.89 36.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.574 0.226 . . . . 0.0 110.641 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.715 ' HE2' HG21 ' A' ' 109' ' ' THR . 22.8 m-85 -126.91 118.8 25.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -121.24 110.01 15.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -142.81 178.03 7.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.238 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.61 129.96 23.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.982 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -118.05 152.84 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.27 142.28 36.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.2 175.32 5.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -75.48 -15.83 60.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -92.72 17.69 9.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.31 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 55.52 85.2 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.324 . . . . 0.0 111.036 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.3 170.4 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 17.7 m-90 -115.38 114.97 25.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.05 98.92 12.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.78 151.47 78.66 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.453 2.102 . . . . 0.0 112.338 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.8 mm -122.08 138.57 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.033 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -137.87 117.76 13.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -113.33 152.86 17.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.311 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -157.16 112.34 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.63 -173.12 19.82 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -105.01 140.1 38.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.766 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -144.38 133.95 23.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.23 140.79 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.7 m -99.58 138.64 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -146.01 121.59 10.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -132.19 141.79 42.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.08 -176.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.419 2.079 . . . . 0.0 112.333 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.02 -40.17 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.59 -31.93 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -133.76 162.19 32.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -124.89 23.63 7.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.14 -50.97 5.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -61.6 98.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -83.02 140.29 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.415 ' HG ' HG12 ' A' ' 132' ' ' VAL . 0.2 OUTLIER -141.52 140.88 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.26 143.71 7.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.9 mp -140.77 150.29 43.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.81 -168.29 41.38 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' A' ' 128' ' ' PRO . 6.1 m-85 -125.31 145.85 49.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.785 0.326 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.715 HG21 ' HE2' ' A' ' 71' ' ' TYR . 1.1 p -114.32 136.9 52.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.97 114.59 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -145.39 -149.4 5.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 124' ' ' PRO . 15.8 m -148.06 162.52 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 111.071 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.606 HG23 ' HB2' ' A' ' 123' ' ' LEU . 1.3 t -127.61 160.75 30.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.91 136.21 53.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -93.35 170.05 9.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.84 -34.39 78.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -40.83 34.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 60.64 32.66 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.38 -68.18 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -169.8 34.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.0 mt -127.92 92.88 41.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.82 163.03 40.56 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.498 2.132 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.606 ' HB2' HG23 ' A' ' 113' ' ' THR . 5.8 mt -112.85 90.08 14.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.428 ' HA ' HG12 ' A' ' 112' ' ' VAL . 76.3 Cg_exo -50.1 140.95 31.6 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.584 2.19 . . . . 0.0 112.436 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 125' ' ' VAL . 31.6 m -149.83 121.07 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.04 123.29 40.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 mp -148.42 129.55 7.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.73 ' O ' HG23 ' A' ' 142' ' ' THR . 72.0 Cg_endo -74.66 150.21 39.57 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.506 2.138 . . . . 0.0 112.323 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.452 HD21 ' HE2' ' A' ' 71' ' ' TYR . 4.3 pp -165.55 173.65 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.02 166.3 27.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.9 t -127.49 123.43 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.415 HG12 ' HG ' ' A' ' 104' ' ' LEU . 6.0 m -145.05 127.17 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.98 -148.59 6.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -170.98 128.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.09 -131.79 28.02 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.523 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -83.3 9.32 4.15 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.705 2.27 . . . . 0.0 113.281 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 m -122.46 106.6 18.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.9 0.381 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.0 m -118.36 117.15 28.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.76 142.71 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -129.57 142.68 50.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.01 146.87 50.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 128' ' ' PRO . 11.1 m -138.34 146.47 42.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -109.01 149.13 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 153' ' ' VAL . 3.7 mp -130.2 91.95 37.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.0 139.83 40.31 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.526 2.151 . . . . 0.0 112.297 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 173.23 136.65 2.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.1 m -86.2 79.87 8.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.75 168.31 12.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.59 -44.93 95.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -77.3 -25.11 50.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -67.51 170.67 34.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 59.79 73.78 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 144' ' ' ILE . 21.4 t -136.01 158.8 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.472 ' N ' HG12 ' A' ' 153' ' ' VAL . 0.1 OUTLIER -118.36 117.12 28.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.431 ' CE2' HG21 ' A' ' 32' ' ' THR . 5.7 m-85 -107.67 134.78 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -111.78 143.65 42.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -137.61 144.17 41.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' MET . . . . . 0.537 ' HG3' ' HB2' ' A' ' 30' ' ' ALA . 12.9 mtp -89.0 136.59 32.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 17.0 ttp85 -128.76 143.71 50.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' PHE . . . . . 0.493 ' CD1' ' CE2' ' A' ' 162' ' ' PHE . 0.7 OUTLIER -122.36 146.55 47.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -114.29 126.07 54.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 160' ' ' PHE . 16.9 m-85 -135.32 115.04 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 163' ' ' LEU . 1.4 mp -108.8 148.5 30.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.67 -37.39 87.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -60.74 148.73 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 60.72 171.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -160.96 38.61 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 126.28 26.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 58.93 -174.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.801 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttm . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.765 0.317 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.35 24.12 8.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.27 -56.22 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.761 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -76.07 -28.92 57.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.695 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.0 -30.93 64.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -31.68 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.9 ttt -72.92 -32.25 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 m -60.69 -49.86 75.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.5 p -70.54 -39.55 73.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 14' ' ' ILE . 42.4 t80 -61.61 -40.58 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -62.58 -47.45 83.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.06 -32.16 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -72.75 -57.07 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.447 HG21 ' CE2' ' A' ' 10' ' ' PHE . 2.6 pp -61.8 -32.11 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.199 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.25 -30.76 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -36.07 70.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p -78.6 -37.84 41.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -39.41 79.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -83.08 -56.07 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -95.11 102.9 10.37 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.84 -21.32 44.48 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.408 2.072 . . . . 0.0 112.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 64.56 109.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.893 0.377 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.489 ' CG ' HD12 ' A' ' 163' ' ' LEU . 1.2 t-80 -149.71 117.98 6.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -90.55 115.6 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.23 148.21 47.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.712 ' HB3' HD11 ' A' ' 28' ' ' ILE . 6.5 mp -111.95 124.72 53.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.6 ' C ' HD12 ' A' ' 28' ' ' ILE . 1.2 t80 -101.28 118.74 37.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 26' ' ' LEU . 3.5 mp -142.9 135.96 13.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.09 150.54 77.44 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.448 2.099 . . . . 0.0 112.296 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.06 -75.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' ' 156' ' ' ALA . 27.9 mm -112.23 140.49 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.7 p -154.48 133.35 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -94.33 140.17 30.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -87.46 150.03 24.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -161.12 38.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -118.24 -45.6 2.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 59.56 24.85 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.04 -169.94 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -72.23 84.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.86 125.98 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt 60.1 92.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.47 32.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 44' ' ' THR . 4.4 mtpm? -104.83 -33.89 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -169.56 97.09 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.57 32.52 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -128.41 -55.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -93.34 117.76 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.737 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -116.43 147.36 41.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -104.25 166.04 10.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 1.1 mpp_? -79.6 136.47 55.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 50' ' ' ARG . 50.7 Cg_exo -53.78 120.55 8.06 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.458 2.105 . . . . 0.0 112.246 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -169.43 34.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.06 141.19 15.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.09 -172.79 23.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.75 -152.9 8.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.586 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.683 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 94.3 m-85 -130.92 173.96 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 111.008 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.63 169.56 24.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 59' ' ' SER . 0.4 OUTLIER -150.84 155.67 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.344 . . . . 0.0 110.926 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.472 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -136.69 160.0 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -141.62 159.3 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 24.9 p-90 -121.61 125.95 47.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.05 140.34 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.07 -18.19 45.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.358 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -91.86 35.13 0.97 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.665 0.269 . . . . 0.0 111.215 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.27 44.04 96.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.588 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -122.0 161.01 23.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -137.92 93.24 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -70.03 148.65 48.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.25 125.01 2.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 87' ' ' GLY . 6.6 tp -111.12 151.2 28.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.677 0.275 . . . . 0.0 110.799 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.434 ' OH ' HG21 ' A' ' 109' ' ' THR . 21.1 m-85 -121.39 155.61 34.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -150.32 109.99 4.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.527 ' CB ' HD12 ' A' ' 85' ' ' ILE . 4.1 mmm -133.89 144.36 48.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.045 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -138.38 136.88 36.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.67 124.06 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.43 120.9 39.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -167.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -87.16 -32.99 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.458 ' HE1' HG21 ' A' ' 44' ' ' THR . 6.8 p-90 -162.75 31.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -108.66 -80.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 178.15 -173.59 0.14 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.809 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -89.6 134.09 34.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.55 98.85 15.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.21 160.07 29.72 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.626 2.217 . . . . 0.0 112.492 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.527 HD12 ' CB ' ' A' ' 73' ' ' MET . 22.5 mt -149.25 133.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.15 119.96 15.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.799 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -103.74 155.96 17.7 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.674 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -157.24 109.99 2.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.747 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.15 178.78 23.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.619 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -122.41 122.12 38.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -129.44 167.87 17.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -123.31 116.13 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.5 m -90.74 127.59 36.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -125.83 129.83 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -105.7 126.0 31.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 50.9 Cg_exo -53.95 177.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.452 2.102 . . . . 0.0 112.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 mp -111.0 -39.55 4.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.75 74.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.4 122.33 12.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -96.38 41.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.07 -31.37 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 96' ' ' PRO . 32.4 p90 -112.5 140.81 46.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.981 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -109.81 148.49 31.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.752 ' HA ' HG12 ' A' ' 132' ' ' VAL . 4.3 mt -123.69 144.17 49.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.41 140.88 8.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.2 OUTLIER -143.39 134.56 25.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.5 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 167.29 -174.36 42.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -103.11 157.42 17.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 110.798 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.434 HG21 ' OH ' ' A' ' 71' ' ' TYR . 33.0 p -135.06 117.1 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.786 ' HB2' ' HG ' ' A' ' 126' ' ' LEU . . . -119.81 114.0 21.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.787 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.402 ' HA3' ' HA2' ' A' ' 87' ' ' GLY . . . -130.47 -172.23 13.09 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.768 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.2 m -129.28 125.35 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.83 126.05 52.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -89.07 116.95 27.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.672 ' NE ' HD21 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -148.09 170.73 17.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.39 117.4 17.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -127.55 -61.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -154.24 -49.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -132.84 36.95 3.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 60.28 38.7 19.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.7 mm -102.95 104.28 38.79 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.08 163.0 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.472 2.115 . . . . 0.0 112.396 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.672 HD21 ' NE ' ' A' ' 115' ' ' ARG . 2.3 pp -126.06 120.81 23.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.43 162.45 12.27 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.444 2.096 . . . . 0.0 112.222 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.589 HG12 ' CD2' ' A' ' 127' ' ' LEU . 21.5 t -150.04 115.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.786 ' HG ' ' HB2' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -117.45 114.74 23.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.589 ' CD2' HG12 ' A' ' 125' ' ' VAL . 1.2 pt? -150.03 159.23 35.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.414 ' O ' HG22 ' A' ' 142' ' ' THR . 14.8 Cg_exo -68.8 142.69 53.13 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.724 2.282 . . . . 0.0 112.175 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.895 HD12 HG23 ' A' ' 142' ' ' THR . 7.4 tt -149.97 153.81 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.535 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -139.91 139.94 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 p -112.24 114.02 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 104' ' ' LEU . 15.4 m -141.33 139.91 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -169.57 -153.34 8.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.695 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.459 ' O ' HG22 ' A' ' 137' ' ' VAL . 35.0 m-85 -142.54 111.89 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.93 -121.26 11.69 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.779 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -84.39 -0.51 9.45 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.743 2.296 . . . . 0.0 113.465 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 134' ' ' TYR . 3.2 m -110.15 112.37 40.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.851 0.358 . . . . 0.0 111.245 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 159' ' ' ARG . 5.5 t -118.56 137.3 53.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -114.16 135.98 53.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.1 134.22 47.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.14 129.95 48.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.895 HG23 HD12 ' A' ' 129' ' ' LEU . 0.4 OUTLIER -117.03 141.94 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -123.74 115.84 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 1.072 HD13 HG23 ' A' ' 153' ' ' VAL . 3.9 mp -102.51 93.74 4.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.045 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.66 139.75 45.12 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.48 2.12 . . . . 0.0 112.368 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -164.69 86.94 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.53 ' O ' HG22 ' A' ' 147' ' ' THR . 23.8 m 61.78 35.75 16.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -142.8 170.45 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -97.37 -43.43 7.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -97.81 27.03 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.98 173.43 49.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.549 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -95.9 -60.55 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.32 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 1.072 HG23 HD13 ' A' ' 144' ' ' ILE . 5.5 m -132.32 159.68 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.64 146.83 47.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.812 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -137.22 121.33 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . . . -110.52 150.51 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -145.01 171.37 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 36.0 mtm -123.43 134.05 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.448 ' O ' HG22 ' A' ' 138' ' ' THR . 0.9 OUTLIER -133.93 122.47 23.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -93.01 125.61 37.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -94.25 123.16 37.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -138.75 117.07 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.489 HD12 ' CG ' ' A' ' 23' ' ' HIS . 1.0 OUTLIER -148.04 119.61 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -124.23 91.01 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -74.22 -32.16 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -85.63 85.73 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.72 134.12 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.71 146.71 29.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 42.9 m80 60.81 99.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.937 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.842 0.353 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -78.79 76.63 5.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.21 -56.03 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.11 -28.79 60.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.661 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.2 -29.15 63.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m0 -75.08 -53.59 8.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -30.13 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.8 m -60.54 -55.91 27.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.785 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.3 p -60.71 -44.62 96.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.35 -41.2 96.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -70.75 -31.26 68.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.67 -30.47 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -78.4 -43.24 27.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.1 mt -71.42 -46.15 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.17 98.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -61.73 -46.51 89.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -70.69 -30.67 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.14 -39.69 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -71.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.997 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -69.45 148.04 97.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.07 -167.67 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.556 2.171 . . . . 0.0 112.35 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -166.14 35.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.539 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.6 m170 -109.04 123.36 49.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -118.49 107.15 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -114.87 132.62 56.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.62 126.31 48.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.436 ' O ' HG23 ' A' ' 28' ' ' ILE . 41.2 t80 -100.56 128.17 46.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 27' ' ' TYR . 11.2 pt -156.07 156.42 30.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.21 166.89 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.531 2.154 . . . . 0.0 112.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.681 ' HB1' HD12 ' A' ' 31' ' ' ILE . . . -141.19 -73.8 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.681 HD12 ' HB1' ' A' ' 30' ' ' ALA . 3.9 mp -144.3 151.1 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.8 m -155.99 127.92 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.64 128.18 46.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -104.75 143.88 32.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.25 106.66 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.49 -57.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.768 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 60.29 48.53 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.13 161.05 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -73.61 83.96 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -86.53 154.43 21.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -48.48 52.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.7 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.9 31.71 21.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.31 -47.18 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.61 109.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.16 167.35 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -96.64 -64.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -107.83 138.61 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -141.88 106.45 4.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.83 89.08 21.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.75 150.43 68.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.52 2.147 . . . . 0.0 112.284 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 119.5 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.92 119.85 0.74 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.566 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.07 -179.72 43.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.13 -143.99 7.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -140.93 174.06 10.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.3 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.95 135.41 4.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.608 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 23' ' ' HIS . 6.7 tp -107.54 137.18 46.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.787 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.44 139.18 52.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -110.52 159.68 17.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -99.97 124.24 45.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.037 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.36 136.92 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.709 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.75 -24.06 8.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.392 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.45 33.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.853 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.91 48.37 73.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -121.99 161.23 23.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.358 . . . . 0.0 111.2 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.51 92.75 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -120.69 140.01 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.27 -170.81 35.81 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.394 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.469 HD21 HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -94.37 165.23 12.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.839 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -135.9 118.84 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.664 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.87 129.07 49.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.237 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.59 ' HB3' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -148.63 122.26 9.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.23 130.02 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -108.06 111.03 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.744 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -98.65 141.1 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.88 162.56 13.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -62.13 -19.41 62.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -144.92 -43.79 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -170.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -96.62 -174.44 3.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 14.5 p-90 -108.39 142.33 38.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.46 109.65 48.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.1 160.05 40.3 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.483 2.122 . . . . 0.0 112.236 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.59 HD12 ' HB3' ' A' ' 73' ' ' MET . 44.5 mt -145.57 135.18 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.249 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.08 117.83 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.672 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.16 169.08 26.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.884 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -95.9 118.04 31.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.29 113.43 4.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.638 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -104.3 111.96 24.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.789 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -119.09 130.76 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.022 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -108.2 104.78 14.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.06 137.47 45.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.02 137.55 24.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -128.83 133.64 25.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.907 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 40.0 Cg_exo -57.04 -162.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.509 2.139 . . . . 0.0 112.164 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.3 tp -85.52 -30.24 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.83 -29.82 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.193 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.7 t0 62.67 119.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -170.97 -176.88 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.438 ' HB2' ' CE1' ' A' ' 134' ' ' TYR . 2.1 m-80 -71.11 -23.99 62.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -53.69 107.7 0.28 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -98.06 120.26 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.563 ' HG ' HG22 ' A' ' 132' ' ' VAL . 0.4 OUTLIER -138.78 133.5 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.81 -156.8 11.84 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.575 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 107' ' ' GLY . 1.2 tt -108.51 155.15 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.544 ' N ' HD23 ' A' ' 106' ' ' LEU . . . -147.65 130.74 3.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -128.11 128.15 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . 1.094 HG23 HD21 ' A' ' 129' ' ' LEU . 48.6 p -105.9 108.97 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.6 123.34 24.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.7 -160.4 23.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.3 m -114.5 150.68 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 111.203 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.3 p -124.03 141.53 51.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.93 116.99 22.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -138.34 163.08 32.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.09 80.29 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -148.77 155.38 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 67.44 -69.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.28 -61.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -164.69 31.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 pp -96.76 146.69 31.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.9 162.97 39.68 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.619 2.213 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.47 89.44 49.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.2 140.92 32.44 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.609 2.206 . . . . 0.0 112.405 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.487 ' C ' HD12 ' A' ' 126' ' ' LEU . 30.7 m -137.62 147.87 26.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.487 HD12 ' C ' ' A' ' 125' ' ' VAL . 4.3 mp -146.29 115.5 7.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 129' ' ' LEU . 82.7 mt -135.82 117.0 11.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.431 ' HG2' ' CE2' ' A' ' 143' ' ' TYR . 73.4 Cg_endo -75.11 148.55 35.02 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.459 2.106 . . . . 0.0 112.342 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 1.094 HD21 HG23 ' A' ' 109' ' ' THR . 0.3 OUTLIER -161.37 172.62 16.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.03 141.67 51.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m -94.63 122.33 37.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.563 HG22 ' HG ' ' A' ' 104' ' ' LEU . 21.6 t -144.91 132.89 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.4 ' HA2' ' CE1' ' A' ' 139' ' ' PHE . . . -178.64 -160.96 25.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.43 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.576 ' O ' HG12 ' A' ' 137' ' ' VAL . 63.1 t80 -161.66 111.87 1.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.69 -112.29 4.52 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.73 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -85.13 -19.38 3.83 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.774 2.316 . . . . 0.0 113.387 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 134' ' ' TYR . 14.8 p -90.32 114.79 28.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 111.348 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.14 118.36 25.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.427 ' CE2' ' HB ' ' A' ' 132' ' ' VAL . 55.1 p90 -128.15 133.07 48.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -126.44 143.28 51.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 5.3 mtt -112.66 135.4 53.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.3 t -120.59 139.46 52.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 128' ' ' PRO . 19.7 p90 -115.22 137.07 52.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.627 ' O ' HG23 ' A' ' 144' ' ' ILE . 2.3 tt -103.05 93.89 4.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.74 158.3 57.45 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.551 2.167 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -169.29 -43.03 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 6.2 p -132.09 -46.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.28 178.03 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -94.91 -31.52 13.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -99.55 27.2 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.89 171.58 11.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.556 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -109.26 -43.18 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.1 t -129.68 146.16 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -115.9 146.53 41.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -131.98 124.72 29.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.521 ' HB3' ' H ' ' A' ' 31' ' ' ILE . . . -91.06 156.35 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -147.5 134.44 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.6 mtt -99.15 140.5 33.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -136.33 128.5 29.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.55 123.43 48.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -90.16 129.31 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.97 134.35 33.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.4 mp -131.52 139.84 49.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -77.6 163.11 26.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -165.9 179.42 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -129.69 127.89 41.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 61.2 155.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 61.05 53.89 3.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -63.41 98.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.879 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtm . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -101.79 71.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.25 -56.23 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.779 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -76.12 -28.94 57.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.709 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.65 -34.02 77.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -44.89 90.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.5 ttt -61.51 -32.25 72.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -60.84 -44.08 97.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.7 m -73.31 -32.9 64.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.546 ' O ' HG22 ' A' ' 14' ' ' ILE . 73.3 t80 -76.04 -31.51 58.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -63.54 -48.03 79.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.81 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -54.7 21.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 10' ' ' PHE . 1.1 tp -60.19 -40.85 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -63.51 -32.93 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -71.13 -53.68 13.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -55.62 -27.8 51.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -30.6 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -95.66 16.33 17.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -94.22 103.5 10.94 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.05 -167.5 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.42 2.08 . . . . 0.0 112.23 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 61.84 113.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -140.08 168.03 20.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -81.75 109.53 16.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.47 134.59 34.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -119.68 112.07 18.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -99.22 124.78 44.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.423 HD12 ' HD2' ' A' ' 29' ' ' PRO . 3.3 tp -155.97 134.01 7.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.032 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HD2' HD12 ' A' ' 28' ' ' ILE . 56.5 Cg_endo -70.7 -179.04 3.02 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.428 2.085 . . . . 0.0 112.263 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.81 -62.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.99 133.99 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.218 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.7 t -156.05 154.28 30.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -143.05 154.63 44.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -116.19 124.25 49.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 62.0 -82.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.211 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -179.71 71.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.926 0.393 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.1 t80 59.14 72.42 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.01 145.67 26.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -63.52 84.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -83.08 152.76 25.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -99.16 33.88 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.89 31.4 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -110.89 -35.5 5.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.6 p -98.92 -31.52 11.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.06 85.47 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.5 125.84 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -162.77 -46.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -80.88 157.34 25.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -112.25 129.08 56.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -66.8 149.0 98.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 129.42 32.75 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.511 2.141 . . . . 0.0 112.351 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -104.28 145.64 29.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' HA3' ' CE1' ' A' ' 75' ' ' PHE . . . -157.05 178.28 33.52 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.438 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.88 176.04 35.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.425 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.73 -165.84 26.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.594 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -147.28 174.08 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.08 -167.86 34.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -132.39 155.46 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.404 ' H ' HD23 ' A' ' 58' ' ' LEU . 2.0 t -123.55 148.64 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.95 142.62 36.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -107.77 167.95 9.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.045 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.62 139.63 51.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.745 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -52.82 -31.21 37.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -68.99 -18.65 64.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.95 46.92 0.92 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.04 161.04 23.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 111.11 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -137.97 105.38 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -131.61 140.1 49.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.998 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.33 -174.43 22.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.58 158.5 43.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.628 0.251 . . . . 0.0 110.788 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 46.0 p90 -157.09 118.75 3.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.31 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.74 117.57 30.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.548 ' HB2' HD11 ' A' ' 85' ' ' ILE . 3.5 mtm -111.91 134.4 53.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.69 139.61 49.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.403 ' CE1' ' HA3' ' A' ' 53' ' ' GLY . 1.2 m-85 -125.58 127.33 46.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -108.67 121.66 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -118.09 -170.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 m -60.16 -29.48 68.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -19.39 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 64.87 60.72 0.82 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.019 0.437 . . . . 0.0 110.766 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -162.08 103.01 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.731 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 30.6 p90 -57.57 128.34 36.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -103.37 98.93 13.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 114' ' ' ALA . 71.6 Cg_endo -77.25 145.49 24.25 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.52 2.147 . . . . 0.0 112.503 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 73' ' ' MET . 2.1 pp -152.74 119.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -99.09 117.85 34.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -105.21 135.78 12.77 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.141 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -104.33 109.93 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 111.05 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.707 ' HA2' HG22 ' A' ' 109' ' ' THR . . . -96.47 108.93 3.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -113.84 112.3 23.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.815 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -147.45 166.4 27.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.53 143.36 27.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.1 p -99.06 142.72 30.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -146.1 132.96 20.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -110.38 124.86 32.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.31 -171.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.383 2.055 . . . . 0.0 112.28 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.1 mt -99.5 -54.35 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.36 -41.72 55.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.85 162.56 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.22 -50.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -69.38 -31.61 70.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.01 99.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -91.83 135.06 34.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.9 tp -133.31 148.07 51.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.49 163.59 37.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.8 mt -147.48 127.9 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -166.91 -157.79 10.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -131.86 151.4 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.707 HG22 ' HA2' ' A' ' 89' ' ' GLY . 39.5 p -121.67 116.54 24.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -138.4 127.35 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -136.32 -153.9 6.68 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.626 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.87 147.46 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.855 0.359 . . . . 0.0 111.211 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.525 ' HA ' HG22 ' A' ' 85' ' ' ILE . 87.2 m -102.7 160.17 14.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.834 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.551 ' HB2' ' HG2' ' A' ' 84' ' ' PRO . . . -77.24 -169.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.03 170.96 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.405 ' HB2' ' CZ3' ' A' ' 118' ' ' TRP . 25.0 m-20 -124.82 -55.87 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -167.0 33.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.405 ' CZ3' ' HB2' ' A' ' 116' ' ' ASP . 10.3 m-90 -103.28 -74.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -165.76 -69.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -176.79 37.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 pp -100.07 105.44 35.39 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.09 145.58 67.62 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.414 2.076 . . . . 0.0 112.263 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 tp -102.11 94.45 4.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.56 143.24 56.26 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.436 2.091 . . . . 0.0 112.282 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 31.1 m -136.04 141.62 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 127' ' ' LEU . 2.4 tt -115.23 114.25 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.46 HD12 ' C ' ' A' ' 126' ' ' LEU . 5.1 mp -139.03 124.37 11.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 143' ' ' TYR . 15.2 Cg_exo -68.71 148.36 71.53 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.448 2.099 . . . . 0.0 112.061 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.693 HD12 ' OG1' ' A' ' 142' ' ' THR . 7.8 tt -154.31 152.67 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -117.89 157.39 26.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.8 p -116.29 114.88 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 132' ' ' VAL . 11.3 p -145.02 115.97 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.984 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.21 -170.96 12.43 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.649 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.456 ' O ' HG12 ' A' ' 137' ' ' VAL . 54.4 t80 -168.42 128.39 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.728 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 65.71 -135.72 35.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.279 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -87.35 23.95 0.77 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.782 2.322 . . . . 0.0 112.843 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 134' ' ' TYR . 9.0 p -138.92 139.76 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.99 145.01 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -127.4 134.35 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.547 ' HB3' HD11 ' A' ' 129' ' ' LEU . 31.5 mt-30 -126.48 132.93 51.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.41 130.03 55.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.693 ' OG1' HD12 ' A' ' 129' ' ' LEU . 1.5 m -109.56 115.26 29.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' TYR . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 128' ' ' PRO . 45.0 p90 -106.25 125.03 50.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.85 91.92 28.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.208 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.83 122.13 11.1 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.529 2.153 . . . . 0.0 112.236 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -94.29 -114.51 2.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.2 -49.2 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -176.98 -63.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.06 -21.23 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -96.07 27.04 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.208 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -154.94 -150.11 5.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.4 m120 63.42 62.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 154' ' ' TYR . 10.9 p -108.63 158.44 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.958 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.478 ' N ' HG22 ' A' ' 153' ' ' VAL . 43.8 m-85 -130.1 146.47 51.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -125.55 133.66 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.29 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -142.02 117.43 10.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.96 127.89 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.09 111.27 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' PHE . . . . . 0.43 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.3 OUTLIER -109.19 147.03 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -113.05 137.54 51.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 160' ' ' PHE . 44.4 m-85 -128.55 174.89 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.76 154.28 33.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.34 -31.23 26.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.45 139.28 9.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -103.36 30.16 5.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.53 -76.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -141.49 -47.52 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 61.03 172.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 11.8 m170 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.89 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.884 0.373 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -168.92 -42.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.18 -56.21 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.17 -28.87 57.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 9' ' ' THR . 68.6 mm-40 -67.0 -37.03 83.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -79.03 -30.58 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -52.18 66.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 9' ' ' THR . 8.0 t -62.5 -47.51 83.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 5' ' ' GLU . 25.4 p -62.79 -31.54 72.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.63 -33.81 73.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -59.94 -41.17 91.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.81 -31.14 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -68.32 -34.96 77.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.0 mm -70.73 -50.93 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -37.44 87.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -67.18 -36.2 81.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -35.63 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -62.87 -47.83 81.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -60.47 -58.66 7.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.79 164.57 32.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.55 -168.13 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.579 2.186 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -111.54 -72.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -100.15 161.44 13.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -126.08 121.33 32.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -115.06 165.92 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tp -130.24 116.82 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -94.75 134.4 37.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 158' ' ' MET . 8.3 tt -154.75 136.08 9.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.456 ' HD3' ' HE1' ' A' ' 73' ' ' MET . 18.7 Cg_endo -60.1 125.31 17.24 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.462 2.108 . . . . 0.0 112.228 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 158' ' ' MET . . . -93.31 -77.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.5 tt -156.25 158.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 m -136.75 138.02 40.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.81 124.21 38.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -106.17 129.82 54.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.2 159.41 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.37 -59.52 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.67 -71.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.01 177.89 4.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -82.98 88.29 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.79 115.69 23.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -157.9 33.52 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -98.78 -56.06 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -155.65 82.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -132.58 -47.26 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.95 153.79 41.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.9 ttt-85 -175.65 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -155.05 103.56 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -104.58 120.42 41.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -106.2 165.96 10.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -154.08 159.33 32.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.7 162.55 40.68 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -99.55 89.49 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -134.48 178.73 18.21 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.94 145.27 10.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -146.13 173.23 26.5 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.682 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.412 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 11.1 m-85 -126.48 171.33 11.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 0.0 110.711 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -140.42 134.56 6.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.586 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 mt -122.03 123.01 40.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.9 t -132.21 157.88 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.422 HH22 HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -151.57 163.16 39.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.72 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.421 ' HB3' ' CZ3' ' A' ' 67' ' ' TRP . 19.7 p90 -115.64 154.7 29.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -119.89 147.01 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.89 -22.87 10.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.507 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -92.66 35.04 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.18 44.38 88.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.615 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.64 147.41 31.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.421 ' CZ3' ' HB3' ' A' ' 61' ' ' TRP . 15.4 t-105 -129.98 95.94 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -74.52 146.92 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.749 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.52 118.32 1.4 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.711 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.422 HD22 HH22 ' A' ' 60' ' ' ARG . 4.3 mp -114.55 146.05 41.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.558 0.218 . . . . 0.0 110.466 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -113.48 155.91 24.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.977 0.418 . . . . 0.0 111.165 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -156.32 133.04 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.595 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.456 ' HE1' ' HD3' ' A' ' 29' ' ' PRO . 10.2 mtt -161.1 166.93 27.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 0.0 111.267 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.16 132.82 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -125.68 171.79 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.01 140.61 50.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.33 -173.47 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -35.0 64.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -101.33 -66.02 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -175.55 103.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -168.15 112.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -94.37 123.41 37.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -112.53 98.83 45.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.63 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 87.6 Cg_endo -81.74 159.98 18.95 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.663 2.242 . . . . 0.0 112.51 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.9 mt -139.61 147.67 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.85 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.866 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . . . -138.21 156.99 47.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.086 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -138.05 144.97 16.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.331 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -152.17 109.93 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.832 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.03 169.89 41.14 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.539 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -115.09 154.81 28.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -157.16 163.33 39.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.7 m -115.88 116.25 27.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.86 119.5 33.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.13 148.96 52.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -116.45 132.4 23.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.15 174.63 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.428 2.085 . . . . 0.0 112.337 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mp -94.86 -41.47 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.03 -43.63 43.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -81.79 172.41 13.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.87 -63.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -68.04 -32.65 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -62.13 123.17 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.74 146.43 50.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.13 144.82 40.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.563 ' O ' ' HB1' ' A' ' 130' ' ' ALA . . . -148.78 135.12 5.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.2 tt -126.77 141.58 51.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.59 -159.79 24.6 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -122.05 131.37 53.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.9 p -122.06 134.69 54.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.3 113.92 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.817 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -101.57 140.28 14.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.516 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.866 ' CG2' ' HB3' ' A' ' 86' ' ' ALA . 28.4 m -115.38 125.9 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -99.95 111.89 24.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.63 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . -98.06 141.49 30.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.208 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -158.02 150.06 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.02 -165.19 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.783 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -140.9 122.64 15.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.197 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.7 m0 60.9 55.03 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -179.74 -41.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -123.06 64.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.775 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.8 pt -65.65 157.71 77.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.57 118.14 3.15 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.809 2.34 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -99.95 108.44 51.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.562 ' CA ' HG12 ' A' ' 112' ' ' VAL . 27.3 Cg_exo -62.25 156.31 51.58 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.545 2.163 . . . . 0.0 112.246 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 111' ' ' GLY . 28.8 m -150.04 115.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 126' ' ' LEU . 0.3 OUTLIER -82.3 117.95 22.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 128' ' ' PRO . 5.0 mt -147.93 146.56 24.16 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 14.8 Cg_exo -68.86 136.51 35.63 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.609 2.206 . . . . 0.0 112.08 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 130' ' ' ALA . 4.4 tt -150.1 152.78 35.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.633 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -140.86 161.58 37.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.91 117.2 23.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 31.3 m -134.51 137.8 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.55 -155.48 15.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -171.03 140.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.775 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.05 -135.37 51.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.331 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -86.31 37.12 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.727 2.285 . . . . 0.0 112.79 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.13 121.79 10.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.786 0.327 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.402 HG21 ' HD3' ' A' ' 159' ' ' ARG . 56.3 m -125.03 130.38 52.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.458 ' HE2' ' HB1' ' A' ' 156' ' ' ALA . 0.3 OUTLIER -119.71 143.3 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.465 ' HB3' HD21 ' A' ' 129' ' ' LEU . 10.6 mt-30 -115.12 145.45 42.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 16.3 mtm -131.74 130.01 41.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.2 m -120.97 151.09 40.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.48 141.32 51.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 30.2 mm -112.29 91.93 17.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.38 164.41 35.8 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.642 2.228 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.4 ' O ' ' CE2' ' A' ' 148' ' ' TYR . . . 169.04 -103.56 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.528 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.787 HG23 ' H ' ' A' ' 149' ' ' ASN . 10.0 t -86.86 -24.26 24.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.718 0.294 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.4 ' CE2' ' O ' ' A' ' 146' ' ' GLY . 29.2 m-85 67.93 12.86 9.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.392 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.787 ' H ' HG23 ' A' ' 147' ' ' THR . 8.3 m-80 -110.1 -51.19 2.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.807 0.337 . . . . 0.0 110.765 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -115.04 -25.2 8.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -65.97 -127.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.61 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.07 74.02 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 20.4 t -108.43 139.39 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.72 147.01 31.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.26 128.07 43.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.458 ' HB1' ' HE2' ' A' ' 139' ' ' PHE . . . -104.81 122.57 46.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.402 ' CH2' ' HB3' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -118.68 161.26 20.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 158' ' ' MET . . . . . 0.502 ' HB3' HG23 ' A' ' 28' ' ' ILE . 3.2 ttp -116.33 144.3 44.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.402 ' HD3' HG21 ' A' ' 138' ' ' THR . 49.6 ttt180 -150.23 123.13 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -111.34 145.01 39.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.32 116.94 33.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -128.1 159.66 34.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.3 mt -143.19 150.96 40.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 60.63 76.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -143.35 144.6 32.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -88.68 139.16 30.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.26 164.9 3.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -98.69 170.24 8.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -98.51 144.7 27.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.714 0.293 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -122.86 -178.84 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.25 -56.11 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.72 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.98 -28.67 64.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.547 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.03 -33.6 57.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.89 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.1 -42.35 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t -56.49 -28.39 59.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.8 m -58.31 -33.48 69.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -76.08 -31.52 58.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -59.37 -37.63 78.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.19 -31.3 71.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.86 -56.96 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.5 pt -59.55 -33.6 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.77 -31.69 63.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.78 -59.25 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.5 p -59.82 -30.88 69.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -60.11 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -167.54 77.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.8 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -153.57 140.96 13.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HG2' HD12 ' A' ' 58' ' ' LEU . 54.5 Cg_endo -69.5 176.26 6.81 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.46 2.107 . . . . 0.0 112.315 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -153.77 31.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -115.47 144.82 43.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.65 104.18 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.39 126.09 35.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 160' ' ' PHE . 4.9 mp -108.32 149.81 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 12.9 m-85 -133.43 130.67 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 pt -138.21 153.55 73.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.96 156.56 62.54 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.587 2.191 . . . . 0.0 112.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.69 -69.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.713 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 8.1 tp -146.32 141.92 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.0 p -141.26 153.36 45.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -94.48 132.83 38.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.48 115.5 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.75 178.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.5 ttt-85 -160.79 -47.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -144.42 51.47 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.0 144.04 29.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.423 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 16.4 p90 -57.39 89.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -124.96 147.61 48.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -150.91 -75.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.96 44.24 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 tttm 61.03 95.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -128.47 31.23 5.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.48 140.08 30.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.83 -43.11 6.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.98 120.82 43.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -97.74 154.36 17.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.62 140.41 36.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -136.13 100.08 10.81 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.408 ' O ' ' CG ' ' A' ' 52' ' ' TRP . 42.6 Cg_endo -67.79 133.03 28.24 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.445 2.097 . . . . 0.0 112.332 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.408 ' CG ' ' O ' ' A' ' 51' ' ' PRO . 1.7 m0 -176.34 157.73 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.19 -147.12 16.97 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.624 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.9 169.42 15.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.56 -153.11 9.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 12.7 p90 -134.92 168.63 18.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.32 175.01 37.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.412 HD12 ' HG2' ' A' ' 21' ' ' PRO . 3.5 mm? -119.01 146.06 45.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.76 175.06 6.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -158.68 165.15 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.466 ' CD1' ' CE2' ' A' ' 67' ' ' TRP . 12.9 m0 -129.21 127.97 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.48 146.83 24.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.06 -23.74 8.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.48 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.77 34.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.723 0.297 . . . . 0.0 111.09 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.96 45.8 85.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.575 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.52 151.41 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.466 ' CE2' ' CD1' ' A' ' 61' ' ' TRP . 5.2 m95 -129.25 101.55 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.88 162.34 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.413 ' HA2' ' CE1' ' A' ' 88' ' ' TYR . . . 169.06 171.88 35.24 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.627 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.841 HD22 ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -91.98 166.08 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 87' ' ' GLY . 18.9 p90 -148.93 121.22 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -103.68 121.57 43.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.145 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.401 ' O ' HD12 ' A' ' 85' ' ' ILE . 23.9 ttp -133.87 126.42 30.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.92 140.02 31.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -121.32 117.39 26.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -83.11 139.66 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -112.28 -177.23 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -74.94 -33.13 61.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -163.05 34.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -130.05 23.86 5.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.46 -169.01 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.078 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -90.94 155.01 19.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -136.63 98.92 10.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.79 154.76 54.0 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.504 2.136 . . . . 0.0 112.296 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.656 ' CG2' HG22 ' A' ' 113' ' ' THR . 4.4 mp -142.75 119.99 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.841 ' HB1' HD22 ' A' ' 70' ' ' LEU . . . -109.97 117.98 35.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.636 ' N ' HD23 ' A' ' 70' ' ' LEU . . . -135.79 139.97 11.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.293 -0.956 . . . . 0.0 113.008 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.413 ' CE1' ' HA2' ' A' ' 69' ' ' GLY . 2.6 t80 -96.38 125.81 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.47 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.62 152.13 19.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.731 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -106.15 139.42 40.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -150.11 131.79 14.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.981 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.7 t -96.49 126.92 42.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.1 p -79.8 143.58 34.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -145.99 124.28 12.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -101.38 128.74 28.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.799 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.81 -174.49 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.433 2.088 . . . . 0.0 112.36 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mt -110.66 -32.37 6.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.17 70.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.78 179.13 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -131.08 -55.62 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -60.89 -31.15 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.27 121.16 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.34 130.97 54.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.54 145.09 44.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.72 148.44 17.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 130' ' ' ALA . 6.8 tp -149.72 152.55 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.87 -162.94 35.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.552 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -112.43 170.99 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.476 HG21 HD13 ' A' ' 129' ' ' LEU . 70.2 p -146.72 115.63 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.81 148.02 52.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.412 ' HA3' ' CA ' ' A' ' 87' ' ' GLY . . . -176.16 -157.49 17.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.738 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 124' ' ' PRO . 26.8 m -141.34 153.64 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.656 HG22 ' CG2' ' A' ' 85' ' ' ILE . 10.8 p -105.12 157.22 17.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -98.78 126.19 44.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.7 ttm-85 -154.8 134.82 13.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.53 135.88 38.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -166.02 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.66 -57.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 39.3 m-20 -143.98 41.15 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.435 ' CG ' ' O ' ' A' ' 119' ' ' ASN . 48.0 p90 44.0 35.72 1.23 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.56 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 pt -65.86 111.32 6.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.93 158.5 24.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.507 2.138 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.98 99.68 24.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.534 ' HA ' HG12 ' A' ' 112' ' ' VAL . 36.3 Cg_endo -65.58 133.99 36.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.405 2.07 . . . . 0.0 112.474 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -149.97 146.16 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.28 125.82 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.03 160.02 34.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.82 153.0 73.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.749 2.3 . . . . 0.0 112.174 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.542 HD23 ' N ' ' A' ' 130' ' ' ALA . 7.7 tt -161.6 153.46 19.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.542 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -137.21 175.35 9.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.4 t -150.23 118.22 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.668 HG22 ' CE ' ' A' ' 141' ' ' MET . 15.0 m -141.98 125.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -163.3 -152.24 6.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 134' ' ' TYR . 30.0 p90 -171.06 135.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 64.0 -135.72 40.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.409 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -87.3 28.9 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.816 2.344 . . . . 0.0 113.024 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.98 106.29 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.7 m -109.13 130.06 55.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -107.04 113.96 27.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -106.79 136.62 46.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' MET . . . . . 0.668 ' CE ' HG22 ' A' ' 132' ' ' VAL . 4.1 ptp -122.38 129.99 52.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.547 HG23 ' HB2' ' A' ' 155' ' ' PHE . 5.2 t -108.18 139.16 43.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -109.65 120.6 43.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.636 HD12 HG13 ' A' ' 153' ' ' VAL . 27.9 mt -102.31 107.66 54.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.09 136.07 36.67 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.341 2.027 . . . . 0.0 112.328 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -153.15 97.98 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.404 ' O ' ' CD2' ' A' ' 148' ' ' TYR . 0.3 OUTLIER 60.92 31.06 19.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 147' ' ' THR . 1.8 m-85 -166.02 177.98 6.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -106.4 -34.57 7.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -72.87 -25.06 60.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 125.28 -174.89 17.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.564 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -138.63 -66.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.636 HG13 HD12 ' A' ' 144' ' ' ILE . 10.9 p -110.25 143.95 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' A' ' 154' ' ' TYR . 3.5 m-85 -108.43 146.98 32.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.547 ' HB2' HG23 ' A' ' 142' ' ' THR . 1.5 m-85 -136.74 127.71 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -97.66 151.17 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -155.09 139.77 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -96.84 140.8 30.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -132.24 134.66 45.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 160' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 26' ' ' LEU . 2.3 p90 -144.97 128.08 16.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -89.95 134.36 34.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.83 115.25 17.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.84 124.69 28.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 61.28 175.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.05 170.02 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.85 171.47 18.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 60.21 171.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -139.12 151.76 46.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -115.49 82.69 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.287 -0.864 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 tpt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.834 0.35 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.46 76.21 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.11 -56.15 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -76.04 -28.96 57.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.671 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.18 -31.75 72.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -31.7 69.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 88.5 mtp -64.36 -46.36 83.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.0 p -60.58 -48.7 80.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.7 p -60.26 -35.16 74.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.71 -31.51 71.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -63.5 -40.94 98.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -34.56 75.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.22 -49.19 72.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.463 ' HA ' HG22 ' A' ' 17' ' ' THR . 8.7 tp -69.48 -31.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.55 -34.15 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -74.47 -44.18 52.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.463 HG22 ' HA ' ' A' ' 14' ' ' ILE . 9.7 t -65.17 -34.0 77.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -61.18 2.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -85.97 150.98 53.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.61 -70.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.561 2.174 . . . . 0.0 112.34 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -174.47 -74.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.412 ' CE1' HD22 ' A' ' 163' ' ' LEU . 98.7 m-70 -144.68 172.79 12.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.41 120.56 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -104.38 140.35 38.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 56' ' ' PHE . 5.2 mt -135.78 112.41 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.04 125.91 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.2 mt -138.22 135.86 18.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.76 106.93 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.447 2.098 . . . . 0.0 112.241 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 31' ' ' ILE . . . -82.64 -69.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 30' ' ' ALA . 2.6 pt -157.67 164.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 p -139.01 174.55 10.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -95.57 123.97 39.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.17 149.98 38.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . . . -86.42 175.89 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -87.73 -48.03 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -125.14 74.37 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . . . -100.03 151.78 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.076 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.43 83.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -80.89 151.8 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -99.31 31.6 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -71.73 -49.4 39.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt 60.25 31.5 20.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 p 55.62 31.33 17.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.53 117.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.81 140.57 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -161.35 -45.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -80.42 111.92 17.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -102.83 159.89 15.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.76 147.05 35.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.74 171.98 16.19 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.571 2.181 . . . . 0.0 112.371 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -129.5 167.15 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.23 -165.33 13.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.99 149.33 20.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.522 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -107.95 139.75 15.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CE2' HD21 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -152.04 127.71 10.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.36 -163.02 17.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.526 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mt -132.68 169.82 16.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 p -142.18 157.67 44.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.11 175.59 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -144.09 138.17 28.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -95.25 147.48 23.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.7 -21.32 17.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.455 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -91.65 35.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 111.226 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.43 51.58 55.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.625 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.02 155.39 35.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -128.23 106.83 9.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -127.82 133.59 49.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.58 177.06 43.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.987 HD21 ' HB1' ' A' ' 86' ' ' ALA . 7.1 tt -125.74 162.79 24.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.649 0.262 . . . . 0.0 110.768 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.794 ' N ' HD23 ' A' ' 70' ' ' LEU . 54.2 p90 -144.12 118.87 9.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.857 0.36 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.82 117.45 30.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.95 122.3 47.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.5 130.32 45.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.46 124.83 43.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -82.97 134.59 35.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.68 -176.64 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.5 p -86.81 -13.07 46.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.363 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.06 26.51 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.641 0.257 . . . . 0.0 111.166 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 54.94 42.42 31.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -130.53 155.72 46.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -115.28 131.24 56.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.93 98.8 22.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.36 156.54 29.09 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.551 2.167 . . . . 0.0 112.296 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.734 HD12 HG22 ' A' ' 113' ' ' THR . 11.2 tt -151.34 119.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.197 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.987 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -112.52 117.85 33.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.712 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -118.94 138.36 13.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.556 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.473 ' CE1' HD12 ' A' ' 70' ' ' LEU . 47.2 m-85 -89.3 118.69 29.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.775 0.322 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.554 ' HA2' HG22 ' A' ' 109' ' ' THR . . . -98.09 122.11 7.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -126.96 111.94 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.794 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.436 ' OE1' HD11 ' A' ' 129' ' ' LEU . 8.2 mt-10 -145.19 168.05 21.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.0 p -119.46 107.63 13.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.814 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 t -76.82 141.42 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -134.44 122.61 22.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -96.89 109.29 48.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.16 -175.45 0.82 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.364 2.043 . . . . 0.0 112.324 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.84 -32.18 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.88 89.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.21 147.68 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.22 -45.67 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -65.03 -31.92 73.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.45 119.04 20.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -115.62 126.48 54.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 104' ' ' LEU . 10.1 tt -119.44 121.09 38.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -133.13 176.28 19.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.426 ' N ' HD23 ' A' ' 106' ' ' LEU . 0.4 OUTLIER -151.29 147.82 27.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.818 0.342 . . . . 0.0 110.98 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.25 -148.16 11.85 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -146.93 166.21 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.554 HG22 ' HA2' ' A' ' 89' ' ' GLY . 18.1 p -147.41 118.13 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.677 ' HB2' ' CD2' ' A' ' 126' ' ' LEU . . . -96.36 118.56 33.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -93.54 134.3 12.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.616 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.45 HG22 ' HB3' ' A' ' 124' ' ' PRO . 28.0 t -111.86 115.09 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.734 HG22 HD12 ' A' ' 85' ' ' ILE . 24.9 p -98.87 140.31 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -87.83 117.46 26.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -122.39 144.29 49.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.88 85.39 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -103.44 -68.81 0.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -96.33 -42.74 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -156.65 -61.21 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -176.84 64.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.7 mp -101.88 105.01 39.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.02 162.98 10.36 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.48 2.12 . . . . 0.0 112.266 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.18 87.0 56.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.45 ' HB3' HG22 ' A' ' 112' ' ' VAL . 67.1 Cg_endo -74.13 152.0 44.87 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.616 2.211 . . . . 0.0 112.383 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 125' ' ' VAL . 28.0 m -150.06 116.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.677 ' CD2' ' HB2' ' A' ' 110' ' ' ALA . 9.8 mt -82.03 128.95 34.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.506 HD13 ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -136.07 116.89 11.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.765 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.506 ' HD2' HD13 ' A' ' 127' ' ' LEU . 15.0 Cg_exo -68.65 138.95 42.94 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.527 2.151 . . . . 0.0 112.111 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.78 ' HB3' HG23 ' A' ' 142' ' ' THR . 4.4 pp -166.89 163.14 16.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -109.26 169.49 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.017 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.03 135.35 48.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 133' ' ' GLY . 21.5 t -133.84 158.86 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.48 ' N ' HG12 ' A' ' 132' ' ' VAL . . . -150.9 151.06 23.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.72 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.521 ' CZ ' HG13 ' A' ' 137' ' ' VAL . 2.1 p90 -160.7 111.93 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.395 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 65.96 -136.14 35.3 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.92 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -88.74 23.96 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.779 2.32 . . . . 0.0 112.779 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.521 HG13 ' CZ ' ' A' ' 134' ' ' TYR . 10.4 p -142.13 150.08 19.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.843 0.354 . . . . 0.0 111.405 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.5 p -125.01 145.05 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.765 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.81 125.24 37.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.959 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.407 ' HB2' ' CD1' ' A' ' 157' ' ' TRP . 3.7 mp0 -114.29 140.65 48.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.74 131.75 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 129' ' ' LEU . 5.1 m -111.01 146.99 35.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 143' ' ' TYR . 5.0 p90 -139.22 106.51 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 144' ' ' ILE . 8.3 tt -95.54 124.1 54.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.7 127.88 14.43 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.446 2.097 . . . . 0.0 112.243 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' ' 147' ' ' THR . . . -99.4 -36.43 4.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 146' ' ' GLY . 34.4 p -158.29 -45.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -107.5 -177.79 3.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -75.76 -23.3 55.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -62.93 -24.98 68.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.04 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.56 -159.15 16.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -158.15 -58.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.5 t -114.15 138.26 44.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -121.39 141.59 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -142.24 134.34 27.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -129.46 148.22 51.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.407 ' CD1' ' HB2' ' A' ' 140' ' ' GLN . 1.5 p90 -145.85 163.74 34.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.767 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 8.6 ttm -108.89 148.55 30.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.45 128.09 30.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.54 137.34 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -117.09 107.91 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.88 136.73 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 23' ' ' HIS . 11.5 mt -108.86 134.02 52.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 60.46 -176.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -101.74 179.21 4.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -71.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -77.18 164.65 25.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -124.73 31.63 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -148.2 125.18 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.928 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.7 mtt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.865 0.364 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -73.1 -174.51 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.16 -56.13 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.13 -28.9 57.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.644 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.07 -31.96 71.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -78.93 -34.44 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 ttm -68.1 -31.85 71.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -57.95 4.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -60.79 -32.51 71.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -75.18 -44.38 46.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -66.8 -31.47 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -69.5 -34.26 74.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.38 -55.08 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.964 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 15' ' ' ALA . 2.6 pp -59.29 -37.62 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' N ' HD12 ' A' ' 14' ' ' ILE . . . -70.14 -30.1 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -77.2 -46.98 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 18' ' ' TRP . 5.8 t -60.36 -48.17 82.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.426 ' N ' HG23 ' A' ' 17' ' ' THR . 16.4 m95 -62.8 -49.83 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.71 -66.29 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -124.76 101.82 32.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.785 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.92 -27.34 36.94 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.401 2.068 . . . . 0.0 112.346 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.09 147.58 34.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -120.86 177.18 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.25 117.63 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -111.68 139.45 47.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 162' ' ' PHE . 2.1 mp -101.77 140.51 35.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.744 ' O ' HD13 ' A' ' 28' ' ' ILE . 11.1 m-85 -123.25 115.96 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.744 HD13 ' O ' ' A' ' 27' ' ' TYR . 26.0 mm -141.69 135.92 15.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.67 159.31 51.32 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.497 2.132 . . . . 0.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.69 -50.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -141.11 156.34 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -154.77 142.51 19.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.473 ' O ' HG23 ' A' ' 153' ' ' VAL . 3.0 m-90 -92.01 134.49 34.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -110.44 150.0 29.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 61.15 -173.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.7 mtm105 -108.24 -68.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -149.15 71.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.86 172.25 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -77.53 84.06 3.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.75 125.1 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -126.86 -55.39 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.08 -43.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -110.03 67.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 p -137.89 30.82 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -177.32 161.86 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 -179.83 3.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -133.28 35.46 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -92.53 159.9 15.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -130.48 109.44 10.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -105.73 156.44 36.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.24 113.78 3.4 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.535 2.157 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -98.02 -31.12 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.97 149.72 10.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.99 -167.09 33.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.86 -144.9 10.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.541 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -124.9 174.04 8.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.98 160.5 32.54 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.16 160.56 18.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -159.52 163.1 35.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.988 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.8 mtm-85 -137.34 151.82 49.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -99.98 116.93 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -77.15 140.09 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.77 -22.56 5.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.47 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -90.7 30.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 111.061 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.15 48.99 75.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.572 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 27.1 m-20 -121.29 153.12 38.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -123.57 110.49 15.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -134.03 137.31 44.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.69 159.2 31.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.834 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.998 HD21 ' HB1' ' A' ' 86' ' ' ALA . 12.7 tp -89.63 159.37 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.693 0.282 . . . . 0.0 110.75 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 71.9 m-85 -126.25 118.78 25.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.666 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.8 110.0 21.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.589 ' O ' HG22 ' A' ' 85' ' ' ILE . 2.2 ptt? -138.98 151.31 46.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -122.62 144.74 48.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -103.93 113.08 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.688 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 123.33 29.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.41 152.89 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.88 -25.25 63.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -139.34 -42.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -165.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -110.99 -177.85 3.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -74.15 139.04 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -109.58 98.87 34.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.774 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.74 146.26 53.66 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.556 2.171 . . . . 0.0 112.409 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 73' ' ' MET . 11.3 tt -150.39 136.38 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.998 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -130.9 117.96 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.751 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.684 ' C ' HD12 ' A' ' 70' ' ' LEU . . . -138.58 135.92 7.72 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.953 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.583 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -89.44 125.3 35.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.775 179.647 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' HA3' HG22 ' A' ' 109' ' ' THR . . . -109.51 146.38 16.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 24.0 t90 -121.34 111.98 18.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.318 . . . . 0.0 110.718 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.96 147.84 52.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -95.49 132.87 40.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 m -91.39 131.87 36.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -146.05 147.58 31.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -124.01 143.18 41.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.47 -176.14 2.6 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.478 2.119 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.25 -31.21 10.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.92 -30.32 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -127.65 152.13 48.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -109.26 -31.18 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.446 ' HB2' ' CE2' ' A' ' 134' ' ' TYR . 4.3 m-80 -83.0 -26.16 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 133' ' ' GLY . 2.5 t80 -56.21 116.53 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -92.52 136.34 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.824 HD23 HG12 ' A' ' 132' ' ' VAL . 1.3 mt -142.77 148.47 37.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.65 165.12 34.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.65 152.12 28.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.19 -164.59 37.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -116.05 170.76 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.792 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.431 HG22 ' HA3' ' A' ' 89' ' ' GLY . 22.9 p -146.29 112.73 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.001 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.763 ' HB2' ' CD1' ' A' ' 126' ' ' LEU . . . -111.21 132.24 54.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.408 ' HA2' ' HA2' ' A' ' 87' ' ' GLY . . . -146.44 171.45 27.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.84 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.85 124.51 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 85' ' ' ILE . 1.8 t -103.79 133.99 47.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.582 ' HB2' ' CA ' ' A' ' 122' ' ' PRO . . . -156.68 166.17 34.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.291 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.409 ' HG3' ' CB ' ' A' ' 120' ' ' TYR . 0.0 OUTLIER -158.0 141.02 14.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.933 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.08 -85.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 173.98 -80.31 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.73 0.3 . . . . 0.0 111.016 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -86.37 81.13 8.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.959 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 172.06 -38.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.409 ' CB ' ' HG3' ' A' ' 115' ' ' ARG . 0.7 OUTLIER -143.38 72.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.422 179.596 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.522 ' H ' HD12 ' A' ' 121' ' ' ILE . 3.7 mp -65.38 139.32 97.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.582 ' CA ' ' HB2' ' A' ' 114' ' ' ALA . 87.1 Cg_exo -47.35 107.18 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.63 2.22 . . . . 0.0 112.675 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.598 HD23 ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -105.56 129.94 23.87 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.629 179.717 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.598 ' HD2' HD23 ' A' ' 123' ' ' LEU . 56.5 Cg_endo -70.41 146.0 54.94 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.496 2.131 . . . . 0.0 112.535 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 125' ' ' VAL . 13.6 p -150.0 116.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.993 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.763 ' CD1' ' HB2' ' A' ' 110' ' ' ALA . 5.1 tp -111.06 134.42 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.05 146.56 20.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.21 128.92 14.36 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.59 2.193 . . . . 0.0 112.282 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.611 HD21 ' CG ' ' A' ' 140' ' ' GLN . 1.1 tt -133.8 151.38 51.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.971 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.554 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -136.97 159.3 42.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m -132.29 114.25 14.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.824 HG12 HD23 ' A' ' 104' ' ' LEU . 31.0 m -144.99 125.05 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.405 ' O ' ' CD1' ' A' ' 102' ' ' PHE . . . -168.94 -142.18 3.44 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.46 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.446 ' CE2' ' HB2' ' A' ' 101' ' ' ASN . 13.3 t80 -166.05 128.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.764 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.36 -132.18 30.1 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.543 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -85.1 14.03 2.6 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.703 2.269 . . . . 0.0 113.215 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.5 m -126.43 116.49 45.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.814 0.34 . . . . 0.0 111.242 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.98 119.81 29.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -79.76 143.73 34.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.611 ' CG ' HD21 ' A' ' 129' ' ' LEU . 5.1 tt0 -106.6 135.59 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.9 130.12 50.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.1 m -127.38 140.28 52.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 143' ' ' TYR . 3.0 m-85 -115.92 113.32 23.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.8 mt -113.44 92.26 22.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.63 149.39 73.73 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.543 2.162 . . . . 0.0 112.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -113.43 -61.92 0.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.534 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 6.8 t -137.47 35.45 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -157.52 -176.3 5.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -105.27 -10.77 16.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.334 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.31 27.04 3.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.764 0.316 . . . . 0.0 111.186 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.53 170.02 1.51 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.536 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -129.41 -67.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 33' ' ' TRP . 12.2 p -109.49 134.82 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -114.27 137.55 51.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -114.95 143.97 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.543 ' HB3' HG12 ' A' ' 31' ' ' ILE . . . -122.34 123.18 40.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -118.46 167.11 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.3 mtp -105.3 138.56 41.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.424 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 1.8 ttp180 -122.95 116.46 23.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' PHE . . . . . 0.485 ' HB3' HD13 ' A' ' 26' ' ' LEU . 2.2 m-85 -109.01 146.97 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.39 117.35 34.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.693 ' HB2' HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -122.55 140.78 52.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 163' ' ' LEU . 1.1 pp -150.32 120.24 7.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 59.76 168.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 18.0 m170 60.32 84.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -128.07 49.34 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.0 35.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.86 -45.05 11.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -79.34 -56.25 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 18.3 m170 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.918 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.811 0.338 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -178.36 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.14 -56.11 4.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.765 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.97 -28.81 60.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.7 -33.54 71.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -29.97 44.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -58.61 -33.15 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m -80.01 -31.09 39.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 m -75.42 -33.75 60.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.97 -35.29 59.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -64.63 -31.84 73.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.32 -32.33 70.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.44 -56.99 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.485 HG23 ' N ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -58.87 -44.28 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -63.97 -28.23 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -70.16 -46.56 64.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -73.79 -30.92 63.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -30.15 45.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -86.23 -37.7 18.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -105.21 89.46 3.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.45 -174.58 0.87 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.593 2.195 . . . . 0.0 112.214 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 62.68 146.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -139.49 176.19 8.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -106.51 98.0 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.68 162.49 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.81 129.45 36.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.447 ' O ' HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -97.67 120.06 37.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 27' ' ' TYR . 26.3 mm -128.93 138.98 34.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -52.08 150.33 19.14 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.53 2.154 . . . . 0.0 112.297 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 31' ' ' ILE . . . -120.78 -75.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.71 HG13 ' HB3' ' A' ' 156' ' ' ALA . 2.0 pt -154.85 123.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.7 p -111.59 143.96 41.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.11 122.04 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -115.42 150.03 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.21 126.49 27.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -100.19 30.74 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -30.3 66.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.85 129.04 45.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.17 85.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -86.85 113.42 22.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -172.59 36.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -130.72 77.57 1.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt 60.49 89.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -107.03 -60.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -108.66 86.8 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -141.58 -48.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -152.11 35.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -103.28 145.29 30.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -89.79 132.74 35.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -98.62 151.35 37.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.28 102.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.555 2.17 . . . . 0.0 112.291 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -67.73 115.83 7.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.79 -179.29 35.46 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.59 159.71 11.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.12 -175.81 21.86 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.607 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -132.69 174.11 10.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.301 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.81 132.95 4.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.614 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -108.63 123.05 48.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -85.33 155.67 21.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.413 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 17.3 mtp180 -154.77 155.41 34.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.778 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.5 m-90 -113.14 136.61 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.79 136.9 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -52.86 -24.42 9.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.394 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -94.3 34.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.48 44.66 85.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.446 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.97 161.07 19.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.137 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.48 112.94 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.732 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.413 ' CE1' ' HB3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -133.97 163.11 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.72 159.88 26.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.684 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.77 HD21 ' HB1' ' A' ' 86' ' ' ALA . 7.4 tt -99.27 166.0 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.608 0.242 . . . . 0.0 110.709 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.751 ' N ' HD23 ' A' ' 70' ' ' LEU . 18.4 p90 -148.89 118.93 7.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 110.979 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -97.15 110.02 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.4 ttm -110.92 121.92 46.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.85 130.02 56.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.96 126.29 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -94.51 145.18 24.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -111.15 170.51 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -59.71 -30.46 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -166.64 41.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -134.0 26.01 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 56.62 -165.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 12.8 p-90 -101.92 144.16 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.788 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.82 102.64 54.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -79.7 153.88 23.3 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.566 2.178 . . . . 0.0 112.214 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.442 HG12 HG23 ' A' ' 113' ' ' THR . 25.1 mt -149.56 119.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.77 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -116.99 117.82 30.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.428 ' O ' ' CE2' ' A' ' 71' ' ' TYR . . . -134.85 144.61 16.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.785 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.695 ' CE2' HD12 ' A' ' 70' ' ' LEU . 75.9 m-85 -95.52 124.65 39.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.761 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.54 129.7 9.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.8 m-90 -107.67 112.06 24.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.81 0.338 . . . . 0.0 110.737 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -132.49 153.47 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.002 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.73 120.81 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.5 p -90.09 137.8 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.956 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -145.99 123.12 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.26 132.2 25.98 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.33 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.456 2.104 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.3 -28.9 11.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.87 -44.87 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.9 165.58 32.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -96.11 -36.5 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -60.0 -30.83 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.07 91.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -92.24 120.23 32.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.75 117.31 32.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -128.35 138.51 10.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.435 HD23 ' HB2' ' A' ' 130' ' ' ALA . 3.6 mt -146.0 140.46 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.3 -153.82 22.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.589 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 108' ' ' PHE . 7.1 m-85 -129.47 171.05 12.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.805 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.758 HG21 HD21 ' A' ' 129' ' ' LEU . 36.9 p -145.76 142.96 29.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.921 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -142.25 135.81 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -144.73 174.8 24.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.633 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.426 HG21 ' CB ' ' A' ' 122' ' ' PRO . 11.7 p -127.99 139.55 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.442 HG23 HG12 ' A' ' 85' ' ' ILE . 47.1 m -103.71 142.48 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -97.25 126.71 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -146.35 133.36 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -96.33 41.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -65.99 -32.08 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -136.34 -56.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -165.13 49.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 60.86 69.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.56 HD13 ' C ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -93.68 119.87 66.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.52 ' N ' HD13 ' A' ' 121' ' ' ILE . 59.1 Cg_endo -71.86 120.13 6.66 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.395 2.063 . . . . 0.0 112.365 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.3 mt -103.39 92.13 3.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.93 154.27 71.17 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.47 2.113 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.19 152.03 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.921 HD22 ' HB2' ' A' ' 110' ' ' ALA . 0.3 OUTLIER -140.98 120.96 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.541 ' N ' HD13 ' A' ' 126' ' ' LEU . 3.8 pp -149.97 136.35 10.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.18 153.05 36.02 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.51 2.14 . . . . 0.0 112.305 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.758 HD21 HG21 ' A' ' 109' ' ' THR . 4.2 pp -168.17 162.31 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.072 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.435 ' HB2' HD23 ' A' ' 106' ' ' LEU . . . -125.57 158.68 33.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.0 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.5 t -128.46 143.81 51.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.01 116.06 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.09 149.36 18.39 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.625 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.41 ' O ' HG12 ' A' ' 137' ' ' VAL . 29.4 t80 -154.67 111.96 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.5 -133.42 51.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.066 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -88.23 24.36 0.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.75 2.3 . . . . 0.0 112.884 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 134' ' ' TYR . 11.5 p -142.09 140.95 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.871 0.367 . . . . 0.0 111.22 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 80.2 m -125.13 128.29 48.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.74 144.0 37.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.448 HE22 HG22 ' A' ' 142' ' ' THR . 0.0 OUTLIER -138.58 123.8 19.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 1.1 tpp -108.85 142.86 38.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.448 HG22 HE22 ' A' ' 140' ' ' GLN . 16.4 p -123.02 151.99 41.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' TYR . . . . . 0.415 ' CE1' ' HB3' ' A' ' 154' ' ' TYR . 3.2 m-85 -136.56 121.82 19.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.526 HD12 ' HD2' ' A' ' 145' ' ' PRO . 6.6 tp -106.26 129.9 23.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' A' ' 144' ' ' ILE . 51.4 Cg_exo -52.84 158.41 6.38 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.444 2.096 . . . . 0.0 112.303 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -163.61 38.29 0.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.571 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.7 m 59.46 31.5 21.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.54 141.93 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -79.84 -31.13 40.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -98.24 26.98 4.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 73.39 168.36 14.54 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -127.17 -57.02 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.405 HG23 ' CG2' ' A' ' 144' ' ' ILE . 6.0 m -147.44 146.48 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.415 ' HB3' ' CE1' ' A' ' 143' ' ' TYR . 7.0 p90 -132.39 142.99 49.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -112.68 134.56 54.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.71 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -98.84 155.46 17.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -154.07 141.88 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 12.7 mtp -92.17 154.2 18.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -139.58 120.11 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -113.44 139.26 49.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -102.54 115.58 30.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -115.4 130.19 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.94 138.44 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.25 140.94 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -144.72 171.51 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -129.93 -53.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 57.8 93.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -52.72 64.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 64.89 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.908 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 tpp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.29 -40.0 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.24 -56.11 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.43 . . . . 0.0 110.741 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.32 -28.84 63.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.523 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.69 -31.07 68.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -42.94 99.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 mtt -63.03 -44.3 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -64.0 -31.66 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.0 m -68.69 -31.38 70.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CE2' HD11 ' A' ' 14' ' ' ILE . 36.0 t80 -72.76 -36.09 67.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -59.55 -31.18 69.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.96 -30.72 69.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -74.91 -36.38 62.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.414 HD11 ' CE2' ' A' ' 10' ' ' PHE . 34.6 mm -68.36 -50.54 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.18 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -30.56 70.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -45.43 70.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 t -74.2 -31.54 62.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -68.06 -35.4 78.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -89.74 -61.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -112.6 164.35 15.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.783 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.82 -177.27 0.91 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.539 2.159 . . . . 0.0 112.297 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.58 -60.79 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -140.73 149.91 42.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.37 116.14 31.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.71 119.43 39.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.79 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.9 143.22 26.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -138.78 122.41 17.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.643 HD13 ' N ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -155.82 152.94 25.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.83 158.21 58.33 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.329 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.93 -76.06 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 2.9 pp -153.54 159.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.616 HG22 ' HA ' ' A' ' 155' ' ' PHE . 15.8 p -142.53 117.11 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -143.62 157.02 44.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -85.55 124.93 32.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.429 ' HB3' ' HE2' ' A' ' 154' ' ' TYR . . . -101.98 93.04 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -130.09 -64.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -162.51 -69.03 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.11 130.17 46.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -63.84 84.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -106.7 144.53 33.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.92 -43.5 68.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 78.16 -55.75 0.49 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.088 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.79 -43.2 4.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.39 93.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -86.23 132.9 33.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -89.46 -53.29 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -86.69 118.83 26.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -99.4 146.41 26.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -129.54 126.63 39.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -116.0 88.35 21.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.442 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 51.4 Cg_endo -69.43 168.53 20.84 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.506 2.137 . . . . 0.0 112.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -104.53 144.32 31.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.62 158.11 9.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.05 150.43 22.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.468 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -113.55 135.95 12.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.578 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.724 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 12.4 m-85 -152.13 119.08 5.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.284 . . . . 0.0 110.603 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.41 178.09 16.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.703 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 59' ' ' SER . 0.9 OUTLIER -117.1 141.59 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.798 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -90.26 153.79 20.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.99 100.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.718 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -99.84 164.03 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -110.58 152.62 26.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.786 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -55.9 -20.72 16.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.544 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -90.37 35.04 0.87 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.686 0.279 . . . . 0.0 111.269 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.62 53.54 40.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.629 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -121.62 145.86 47.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -118.74 113.42 21.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -134.02 156.03 48.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.07 169.01 40.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.608 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.606 HD11 ' CE2' ' A' ' 88' ' ' TYR . 2.7 mp -104.11 166.06 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.666 0.27 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -129.4 118.82 22.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -108.66 109.83 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.758 ' HB3' HD12 ' A' ' 85' ' ' ILE . 1.3 ttp -118.08 144.23 45.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.06 129.94 38.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.92 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -119.06 112.98 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -99.84 111.56 23.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -69.86 -177.07 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -86.39 -20.34 28.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.207 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.95 30.09 0.31 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 0.0 110.733 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.77 -163.66 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.671 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -98.51 176.84 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 27.8 p90 -82.07 151.25 27.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -114.93 98.98 51.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.35 150.42 36.67 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.555 2.17 . . . . 0.0 112.322 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.758 HD12 ' HB3' ' A' ' 73' ' ' MET . 32.2 mt -143.97 139.24 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.621 ' O ' HG22 ' A' ' 112' ' ' VAL . . . -138.3 117.8 12.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.674 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.401 ' HA2' ' HA2' ' A' ' 111' ' ' GLY . . . -130.95 -170.44 12.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.627 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.606 ' CE2' HD11 ' A' ' 70' ' ' LEU . 56.6 m-85 -145.48 121.81 10.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.788 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.15 148.08 16.38 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.438 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -145.76 121.36 10.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -149.53 167.82 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 m -121.42 105.86 10.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.8 p -107.21 127.44 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -129.54 161.7 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 155.14 48.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.34 175.52 7.65 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.59 2.193 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.04 -30.78 69.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.54 -31.07 69.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.98 96.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -150.24 -178.17 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -60.53 -33.04 72.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.51 127.12 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -143.85 144.23 31.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.611 ' HG ' HG22 ' A' ' 132' ' ' VAL . 0.6 OUTLIER -133.89 140.32 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -156.89 174.2 34.54 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.56 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.771 HD23 ' HB2' ' A' ' 130' ' ' ALA . 12.1 mt -144.96 138.47 26.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -163.42 -158.75 10.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.579 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -133.09 123.5 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.412 ' HB ' HD13 ' A' ' 129' ' ' LEU . 79.2 m -97.73 109.19 21.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.72 164.24 14.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.401 ' HA2' ' HA2' ' A' ' 87' ' ' GLY . . . -178.79 166.74 36.65 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.647 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.772 HG12 ' HA ' ' A' ' 124' ' ' PRO . 27.2 m -119.8 165.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.91 148.42 44.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.99 121.9 17.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.84 149.76 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -107.55 140.83 39.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -148.24 -59.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -122.16 -45.91 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -168.31 -43.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.02 56.24 0.3 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 mt -104.51 92.92 5.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.33 162.99 40.6 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.575 2.183 . . . . 0.0 112.347 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.0 tp -102.09 96.83 7.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.772 ' HA ' HG12 ' A' ' 112' ' ' VAL . 54.7 Cg_endo -69.81 147.03 61.68 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.524 2.149 . . . . 0.0 112.394 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.01 125.99 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.16 137.86 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.657 HD12 HG23 ' A' ' 142' ' ' THR . 0.1 OUTLIER -149.97 116.91 3.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.604 ' HD2' HD13 ' A' ' 127' ' ' LEU . 15.0 Cg_exo -68.6 128.48 17.17 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.532 2.155 . . . . 0.0 112.124 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.537 HD11 HG23 ' A' ' 142' ' ' THR . 2.9 mp -142.44 162.03 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.771 ' HB2' HD23 ' A' ' 106' ' ' LEU . . . -131.23 161.32 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 m -118.57 119.77 35.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.611 HG22 ' HG ' ' A' ' 104' ' ' LEU . 21.7 t -145.02 115.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -172.17 -149.6 6.77 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.432 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.468 ' O ' HG22 ' A' ' 137' ' ' VAL . 53.6 p90 -169.67 120.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.765 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.55 -132.35 29.68 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.706 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.73 -4.67 15.16 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.866 2.377 . . . . 0.0 113.516 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 134' ' ' TYR . 5.2 m -109.04 119.58 58.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.4 m -125.09 108.92 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -101.48 114.47 28.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.811 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -109.6 145.97 35.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.37 148.67 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.696 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.657 HG23 HD12 ' A' ' 127' ' ' LEU . 61.0 m -123.36 152.02 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.7 122.53 33.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.615 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.636 ' N ' HD12 ' A' ' 144' ' ' ILE . 3.3 mp -108.48 91.87 9.12 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.17 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.33 150.0 28.32 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.554 2.169 . . . . 0.0 112.221 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -172.7 75.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.577 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 90.1 m 64.32 -76.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.693 0.282 . . . . 0.0 111.063 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -170.77 -66.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -60.95 -43.11 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -97.94 27.15 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -153.32 98.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.541 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 6.1 p30 174.55 40.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.628 HG23 HD13 ' A' ' 144' ' ' ILE . 13.9 m -123.21 152.97 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.429 ' HE2' ' HB3' ' A' ' 35' ' ' ALA . 2.3 m-85 -123.63 125.23 44.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.616 ' HA ' HG22 ' A' ' 32' ' ' THR . 0.3 OUTLIER -104.04 122.72 45.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -96.69 140.74 30.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.433 ' HE1' ' HG1' ' A' ' 142' ' ' THR . 24.3 m95 -136.6 158.52 44.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -120.52 141.31 50.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -134.37 126.2 29.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.27 128.72 53.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.33 120.2 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.28 175.05 8.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 tp -125.17 144.32 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.18 78.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -176.29 104.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -133.32 -75.02 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -134.42 148.16 50.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -148.72 145.35 27.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -77.14 140.36 40.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.875 0.369 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -133.17 -174.92 3.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.38 -56.05 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.722 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.06 -28.69 62.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.636 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.98 -40.48 66.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -30.81 65.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 ttt -75.76 -33.72 60.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -53.56 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -64.86 -31.41 72.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.473 ' HE1' HD11 ' A' ' 14' ' ' ILE . 7.6 t80 -64.74 -31.0 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -57.21 -36.39 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.76 -40.43 95.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -64.09 -34.66 78.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.662 HG22 ' CD1' ' A' ' 18' ' ' TRP . 31.9 mm -70.52 -34.12 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.062 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.15 83.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.072 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -65.89 -47.93 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.5 p -60.37 -35.26 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.662 ' CD1' HG22 ' A' ' 14' ' ' ILE . 2.2 m95 -60.12 -52.3 65.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -164.94 80.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.76 111.06 47.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -51.76 138.1 50.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.421 2.081 . . . . 0.0 112.405 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -155.16 78.38 1.03 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -90.69 149.55 22.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -103.91 105.2 15.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.14 134.02 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.61 147.82 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' O ' HG23 ' A' ' 28' ' ' ILE . 8.0 m-85 -138.99 135.09 33.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 27' ' ' TYR . 3.6 pt -156.02 132.92 6.27 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.69 166.63 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.471 2.114 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.73 -63.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 27.3 mt -136.03 124.37 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.7 t -123.3 163.14 21.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -86.04 121.98 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.3 131.08 34.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.68 168.29 9.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.32 -28.21 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -84.41 56.96 4.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.03 -175.94 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -73.77 85.39 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -124.43 126.62 46.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -123.19 -74.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -168.08 -59.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 32.61 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.07 31.8 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -121.45 76.87 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.99 -60.03 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.65 160.18 42.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -74.87 165.02 25.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.07 157.83 16.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.87 89.67 8.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.71 155.37 5.59 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.544 2.163 . . . . 0.0 112.352 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.16 30.34 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.09 155.06 39.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -118.83 147.86 18.41 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.0 146.37 17.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.625 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -152.18 166.45 31.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.771 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.701 ' C ' HD22 ' A' ' 58' ' ' LEU . . . -158.99 157.57 28.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.726 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.701 HD22 ' C ' ' A' ' 57' ' ' GLY . 2.9 mm? -127.08 146.99 50.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.75 150.72 20.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.026 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -159.47 160.93 35.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -126.08 137.45 53.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.29 136.99 37.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -52.99 -22.68 5.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.556 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -90.4 35.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.666 0.27 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 53.03 43.62 62.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.628 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -122.03 161.06 23.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 111.043 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.13 125.18 49.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -118.38 159.92 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.42 130.38 2.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.9 163.42 22.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.668 0.27 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 4.3 m-85 -119.98 118.78 31.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.604 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 85' ' ' ILE . . . -122.53 109.85 14.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.477 ' O ' HD12 ' A' ' 85' ' ' ILE . 2.2 mtt -143.48 169.88 16.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 111.247 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.32 129.96 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -106.62 114.17 28.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.999 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 98.31 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.844 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.63 179.76 5.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.7 m -80.57 -2.89 48.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.371 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -135.77 -47.53 0.67 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -60.66 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.811 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -125.93 165.38 18.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -66.84 132.14 47.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -132.98 98.85 15.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.568 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 59.0 Cg_endo -71.88 156.45 56.58 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.451 2.101 . . . . 0.0 112.281 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 73' ' ' MET . 4.2 mp -137.38 127.6 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.25 117.68 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.569 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.18 -156.09 7.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.929 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -157.04 138.29 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.741 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.66 155.88 17.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.583 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -115.83 116.82 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -145.72 168.08 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -129.87 113.23 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 p -95.15 135.69 36.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -135.4 113.95 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -96.72 133.96 23.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.48 88.41 1.17 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.52 2.147 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.48 -27.14 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.66 72.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.207 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -167.89 166.81 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 63.24 141.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.415 ' HB2' ' CE1' ' A' ' 134' ' ' TYR . 3.7 m120 -94.04 5.12 52.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.407 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.36 114.36 2.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -93.95 135.96 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.3 tp -116.1 154.24 30.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -165.82 139.07 5.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.1 mt -137.72 139.5 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 168.9 -172.0 43.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.58 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -117.32 171.01 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.444 HG21 HD21 ' A' ' 129' ' ' LEU . 27.9 p -137.99 117.98 13.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.18 116.85 21.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.55 158.85 27.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.4 m -101.68 145.06 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.4 p -112.91 133.17 55.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.568 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . -81.95 126.52 32.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -136.72 170.15 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.93 117.06 28.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.49 -62.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.81 -38.19 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -165.89 -56.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -176.41 58.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 pt -86.76 108.23 17.4 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.643 ' O ' HD22 ' A' ' 123' ' ' LEU . 45.6 Cg_endo -68.38 161.07 46.39 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.456 2.104 . . . . 0.0 112.337 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 122' ' ' PRO . 4.1 mm? -131.68 100.12 16.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.39 148.19 73.09 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.407 2.071 . . . . 0.0 112.281 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.98 119.93 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.81 129.72 56.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.98 129.46 6.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.543 ' HD2' HG22 ' A' ' 144' ' ' ILE . 74.0 Cg_endo -75.46 130.06 12.49 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.496 2.13 . . . . 0.0 112.426 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 109' ' ' THR . 3.6 pp -150.3 171.39 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -131.29 164.76 24.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.7 m -120.29 129.13 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.05 115.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -133.89 177.94 18.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.682 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.444 ' O ' HG12 ' A' ' 137' ' ' VAL . 0.3 OUTLIER -165.89 122.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.613 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 66.4 -134.84 33.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.382 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -86.56 20.87 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.773 2.315 . . . . 0.0 112.967 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 134' ' ' TYR . 9.4 p -136.57 137.0 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 42.9 m -124.99 145.1 50.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -130.67 143.84 51.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -135.26 122.1 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 8.0 mtt -115.08 146.79 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.021 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 8.9 t -133.32 133.56 42.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' TYR . . . . . 0.425 ' HB3' ' CE1' ' A' ' 154' ' ' TYR . 13.6 p90 -135.9 133.53 37.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.041 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.543 HG22 ' HD2' ' A' ' 128' ' ' PRO . 2.3 pt -121.4 91.99 48.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.66 121.95 8.83 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.555 2.17 . . . . 0.0 112.404 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -122.68 -37.42 0.63 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.549 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 4.3 m 63.53 52.78 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.11 177.87 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -59.03 -31.61 68.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.58 27.0 10.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.05 172.87 14.74 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 59.81 76.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.65 136.1 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 143' ' ' TYR . 2.5 m-85 -112.43 147.0 37.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.783 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.07 121.09 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -103.17 126.17 50.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.048 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -130.91 128.56 40.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 28.0 mtp -83.01 149.91 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.414 ' HB2' ' CE1' ' A' ' 27' ' ' TYR . 10.4 ttm180 -140.06 148.79 42.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -128.99 146.69 50.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -101.16 124.37 46.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -138.76 121.94 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.48 150.23 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -176.41 102.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -62.68 172.73 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -141.64 -64.56 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.81 37.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -100.8 -39.79 7.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -103.82 -45.31 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 tmm? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.832 0.349 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -148.76 31.08 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.29 -56.15 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -75.99 -28.89 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.75 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -59.51 -32.33 70.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -79.02 -37.18 39.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.2 mtp -66.73 -41.86 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 p -60.48 -32.76 71.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -73.66 -39.63 64.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -67.58 -36.06 80.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' HA ' HG22 ' A' ' 14' ' ' ILE . 3.6 mtm180 -77.45 -37.95 50.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.13 -39.91 90.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.16 -51.69 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 10' ' ' PHE . 19.2 tt -61.56 -43.18 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.06 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -64.37 -35.18 80.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -66.86 -52.24 45.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -59.91 -35.77 75.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -71.44 -42.43 68.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -63.4 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.57 126.57 80.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.11 118.41 5.41 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.411 2.074 . . . . 0.0 112.266 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.648 ' HG3' HD22 ' A' ' 58' ' ' LEU . 2.8 tt0 -168.99 90.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -97.47 174.09 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -116.04 99.8 7.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.13 122.65 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.664 HD23 ' H ' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -92.03 149.95 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.664 ' H ' HD23 ' A' ' 26' ' ' LEU . 47.7 m-85 -137.18 120.31 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HD2' ' A' ' 29' ' ' PRO . 3.2 tp -144.0 134.23 11.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD2' HD12 ' A' ' 28' ' ' ILE . 54.5 Cg_endo -69.49 159.81 52.19 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.462 2.108 . . . . 0.0 112.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.39 -52.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.665 ' HB ' ' HB3' ' A' ' 156' ' ' ALA . 28.5 mm -112.22 131.45 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.1 p -150.14 148.41 28.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -108.7 134.31 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -96.42 130.86 43.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.85 163.43 4.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -151.91 -46.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -97.25 39.49 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.64 -170.15 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.33 86.54 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -113.99 121.97 45.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -150.23 -67.58 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -95.34 -28.3 15.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -56.15 25.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m 59.86 94.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.47 128.9 43.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -178.19 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.78 80.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -118.08 159.03 23.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.92 150.77 51.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -156.48 88.64 2.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.56 142.75 49.67 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.606 2.204 . . . . 0.0 112.266 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 61.78 156.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.28 96.39 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.416 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.7 151.85 20.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.537 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.4 136.79 13.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.529 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 29.7 p90 -152.09 125.2 8.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.42 -165.21 12.46 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.558 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.648 HD22 ' HG3' ' A' ' 22' ' ' GLU . 2.0 pp -142.16 170.09 16.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.445 ' CB ' ' CH2' ' A' ' 67' ' ' TRP . 79.1 p -163.46 174.39 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -153.77 163.51 39.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -106.72 140.58 39.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -95.03 140.1 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -22.92 13.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.437 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -92.99 35.05 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.51 50.22 64.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.594 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.89 159.59 26.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.445 ' CH2' ' CB ' ' A' ' 59' ' ' SER . 4.0 t90 -136.85 108.58 7.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 5.7 p80 -134.13 152.07 51.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.76 164.19 30.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mt -102.17 165.98 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.701 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 12.5 m-85 -139.12 118.7 13.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.759 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -101.43 109.89 21.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.44 ' O ' HG22 ' A' ' 85' ' ' ILE . 1.1 mpp? -114.77 137.23 52.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.741 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.76 131.84 53.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.15 117.4 23.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -95.81 129.93 42.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.11 179.65 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 m -76.37 -30.95 57.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -36.02 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.53 118.77 32.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -165.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -55.5 124.44 17.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -106.17 98.88 20.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.63 150.94 28.23 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.563 2.176 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.523 HD12 ' OG1' ' A' ' 113' ' ' THR . 2.0 tt -153.76 124.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.185 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -115.04 117.91 31.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA2' ' CA ' ' A' ' 111' ' ' GLY . . . -122.62 135.93 10.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.504 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.413 ' CE1' ' HB2' ' A' ' 68' ' ' HIS . 4.3 t80 -92.02 110.03 21.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -96.24 125.78 8.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.95 112.01 18.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -140.36 155.17 46.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -95.06 133.19 39.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.1 146.08 27.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -143.81 143.09 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -96.27 104.08 16.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.422 ' HB3' HD12 ' A' ' 104' ' ' LEU . 46.8 Cg_endo -68.69 -172.81 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.386 2.057 . . . . 0.0 112.338 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -48.51 81.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.606 ' HB3' ' CB ' ' A' ' 102' ' ' PHE . . . -59.42 -51.82 68.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.4 t0 59.73 175.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 64.93 -75.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -88.62 -50.97 5.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.606 ' CB ' ' HB3' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -74.04 134.95 43.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.35 155.94 46.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.526 ' CD2' HG23 ' A' ' 132' ' ' VAL . 11.1 mt -139.33 163.0 33.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.26 159.06 28.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.53 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.2 OUTLIER -149.45 140.19 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.939 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.636 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 176.17 -160.53 28.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 1.3 m-85 -125.35 163.67 22.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 51.4 m -139.33 112.57 8.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.513 ' HB1' ' CD2' ' A' ' 126' ' ' LEU . . . -119.06 129.25 55.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.404 ' CA ' ' HA2' ' A' ' 87' ' ' GLY . . . -145.38 -179.24 21.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.734 HG12 ' HA ' ' A' ' 124' ' ' PRO . 14.8 m -141.99 150.44 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 111.077 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.523 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -98.98 127.21 44.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.912 ' HB1' ' HA ' ' A' ' 118' ' ' TRP . . . -105.49 138.11 42.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 -153.66 167.49 29.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.5 t70 69.04 -67.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.913 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -137.44 25.72 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.912 ' HA ' ' HB1' ' A' ' 114' ' ' ALA . 0.0 OUTLIER 58.04 34.55 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.008 179.877 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 176.13 -32.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.188 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -45.51 -42.16 10.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.574 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.5 OUTLIER -136.81 92.79 14.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 111.384 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.23 151.03 15.68 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.604 2.203 . . . . 0.0 112.245 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.74 86.92 42.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.734 ' HA ' HG12 ' A' ' 112' ' ' VAL . 30.9 Cg_exo -61.61 140.0 84.31 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.646 2.23 . . . . 0.0 112.211 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.476 HG12 ' CD2' ' A' ' 127' ' ' LEU . 21.3 t -150.05 116.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.513 ' CD2' ' HB1' ' A' ' 110' ' ' ALA . 7.9 mt -113.02 123.37 50.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 125' ' ' VAL . 0.5 OUTLIER -150.05 137.22 11.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 71.0 Cg_endo -74.5 143.46 30.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.501 2.134 . . . . 0.0 112.409 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.811 HD22 ' HG2' ' A' ' 140' ' ' GLN . 4.2 mt -137.9 155.21 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -139.05 139.83 37.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.4 t -104.67 114.23 28.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.526 HG23 ' CD2' ' A' ' 104' ' ' LEU . 11.8 p -144.99 123.02 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 160.22 -140.85 7.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.529 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -119.22 152.57 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.277 . . . . 0.0 110.646 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.492 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -43.55 -50.81 6.83 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.046 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 57.5 Cg_endo -71.97 -26.9 18.04 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.423 2.082 . . . . 0.0 112.778 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.631 ' O ' HG13 ' A' ' 137' ' ' VAL . 8.3 p -142.02 97.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.0 0.428 . . . . 0.0 111.239 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.558 HG23 ' HB2' ' A' ' 159' ' ' ARG . 1.6 t -97.64 144.85 26.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.588 ' CE1' ' HB1' ' A' ' 156' ' ' ALA . 2.2 t80 -104.79 119.21 38.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.811 ' HG2' HD22 ' A' ' 129' ' ' LEU . 1.9 tt0 -108.28 114.02 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' MET . . . . . 0.696 ' O ' HD23 ' A' ' 129' ' ' LEU . 0.2 OUTLIER -106.42 138.83 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 155' ' ' PHE . 1.2 t -119.57 147.62 44.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.65 105.98 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.963 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.29 130.13 23.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.86 140.04 31.31 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.446 2.097 . . . . 0.0 112.348 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -99.68 -47.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.441 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.13 -49.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -94.29 -178.66 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -86.12 -2.92 58.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.424 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -96.15 27.02 3.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.684 0.278 . . . . 0.0 111.077 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 59.77 170.9 0.46 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -145.15 -47.46 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.6 m -138.28 136.68 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -123.15 142.25 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.405 ' O ' HG22 ' A' ' 142' ' ' THR . 45.8 m-85 -108.38 141.82 39.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.665 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . . . -114.94 125.76 54.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 24.4 m0 -131.02 144.6 51.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -103.03 153.14 20.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.558 ' HB2' HG23 ' A' ' 138' ' ' THR . 54.6 mtm180 -130.92 140.01 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -112.13 139.27 47.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -89.94 118.37 29.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.59 140.83 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.15 122.89 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 59.96 173.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 155.88 41.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.55 -41.43 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -75.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.44 176.68 6.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -131.78 34.91 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.24 -0.885 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -113.23 -18.02 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.17 -56.16 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.012 0.434 . . . . 0.0 110.811 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.45 -28.86 61.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.588 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -71.25 -29.3 64.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -31.23 71.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtt -71.75 -55.87 6.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.974 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -59.31 -31.3 69.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -67.02 -48.18 69.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.562 ' O ' HG22 ' A' ' 14' ' ' ILE . 67.2 t80 -60.22 -36.76 78.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -67.79 -41.39 83.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.66 -31.68 52.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -68.43 -53.78 21.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 10' ' ' PHE . 7.5 tp -60.42 -35.47 63.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.91 -35.09 64.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.66 -34.71 74.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.518 HG21 HH11 ' A' ' 60' ' ' ARG . 47.6 p -73.16 -31.65 64.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -73.32 -31.51 64.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -72.68 -44.91 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -151.66 88.32 4.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.72 165.4 0.75 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.542 2.161 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -65.73 -47.02 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -173.8 161.47 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.92 149.02 23.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -125.52 130.24 51.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.24 126.86 53.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -112.77 128.82 56.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.5 pt -149.47 147.63 23.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.98 111.92 3.28 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.595 2.197 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 158' ' ' MET . . . -90.19 -61.34 1.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.7 pt -155.05 162.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 t -138.48 169.98 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -86.24 123.09 31.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -118.02 128.61 54.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.92 134.35 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.16 100.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.38 27.35 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.14 -170.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.22 83.96 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.03 110.85 22.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.02 81.23 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -126.68 -49.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.703 ' O ' HG23 ' A' ' 44' ' ' THR . 15.3 tttm -138.99 -73.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -178.35 -72.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -99.8 -26.87 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 69.17 -68.82 0.17 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.63 126.69 53.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -93.66 157.35 16.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -123.14 158.68 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -111.12 91.43 13.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.09 149.29 76.65 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.492 2.128 . . . . 0.0 112.258 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -142.94 34.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.03 179.48 17.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.594 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.94 164.94 22.43 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.393 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.01 158.05 27.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.676 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -151.97 147.07 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.06 -157.26 8.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 mt -135.99 178.24 7.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -133.72 168.68 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.518 HH11 HG21 ' A' ' 17' ' ' THR . 30.6 mtp85 -156.35 148.93 23.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -100.24 127.77 46.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.58 136.83 32.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.84 -23.49 12.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.403 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -92.95 34.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.776 0.322 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.34 40.8 86.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.53 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.05 157.22 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -122.37 99.79 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.98 157.71 16.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.729 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.09 131.59 1.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.833 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.712 HD11 ' HB1' ' A' ' 86' ' ' ALA . 8.7 tt -98.61 156.63 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.581 0.229 . . . . 0.0 110.578 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.471 ' N ' HD23 ' A' ' 70' ' ' LEU . 17.0 p90 -146.09 118.65 8.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.781 0.324 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.4 110.03 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 36.7 ttp -116.65 132.71 56.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.81 131.39 55.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 75' ' ' PHE . 15.9 p90 -119.71 138.82 53.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -96.75 129.59 44.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.74 167.05 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -5.3 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.405 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.64 -47.69 0.33 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.936 0.398 . . . . 0.0 110.769 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -75.73 -173.17 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.793 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -102.69 178.34 4.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -61.07 144.26 53.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -131.57 117.34 16.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -81.97 148.12 15.24 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.598 2.199 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 112' ' ' VAL . 4.3 mp -142.92 119.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.712 ' HB1' HD11 ' A' ' 70' ' ' LEU . . . -107.25 117.84 35.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -118.28 135.79 11.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.37 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.7 ' CZ ' HD12 ' A' ' 70' ' ' LEU . 89.0 m-85 -93.01 110.3 21.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 111.005 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.879 ' CA ' HG22 ' A' ' 109' ' ' THR . . . -95.74 133.68 11.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.444 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.401 ' CZ3' ' O ' ' A' ' 88' ' ' TYR . 27.0 p90 -132.56 118.11 18.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -145.69 168.02 21.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 m -112.68 106.43 14.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.8 p -95.03 145.5 24.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -138.42 141.53 39.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.1 129.37 28.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.82 -169.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.472 2.115 . . . . 0.0 112.239 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.06 -34.82 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.99 -48.42 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.8 149.07 40.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.016 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -110.35 -31.87 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -59.83 -40.8 89.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 134' ' ' TYR . 1.1 t80 -70.61 143.4 51.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -136.5 151.54 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.8 tt -153.81 119.74 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.544 ' O ' HD22 ' A' ' 106' ' ' LEU . . . -145.52 169.08 27.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.464 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.544 HD22 ' O ' ' A' ' 105' ' ' GLY . 0.4 OUTLIER -138.83 151.47 47.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.3 -147.95 9.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.67 165.17 28.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.879 HG22 ' CA ' ' A' ' 89' ' ' GLY . 17.1 p -143.87 124.71 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.713 ' HB2' HD12 ' A' ' 126' ' ' LEU . . . -99.43 113.96 26.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.04 109.74 3.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.612 ' O ' HG23 ' A' ' 85' ' ' ILE . 21.6 t -103.25 132.38 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.418 ' HA ' HG23 ' A' ' 85' ' ' ILE . 4.0 t -98.94 140.83 32.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.01 -169.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -57.39 171.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 67.15 62.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -149.14 -47.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.803 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.694 ' CD1' HD22 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -122.38 -74.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.785 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -131.43 -42.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -178.34 -35.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 122' ' ' PRO . 2.1 pp -82.97 153.6 67.02 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.669 ' O ' HD12 ' A' ' 121' ' ' ILE . 34.2 Cg_endo -64.4 163.01 28.21 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.616 2.211 . . . . 0.0 112.255 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.694 HD22 ' CD1' ' A' ' 118' ' ' TRP . 30.3 tp -128.01 99.57 25.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.51 ' HB3' HG22 ' A' ' 112' ' ' VAL . 74.1 Cg_endo -75.34 156.23 41.48 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.545 2.163 . . . . 0.0 112.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.619 HG12 HD13 ' A' ' 127' ' ' LEU . 21.3 t -149.97 115.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.789 ' O ' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -95.94 125.27 40.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 126' ' ' LEU . 4.7 mp -142.47 156.63 63.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.79 125.05 12.14 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.689 2.259 . . . . 0.0 112.212 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.693 HD11 ' OE1' ' A' ' 140' ' ' GLN . 0.2 OUTLIER -130.73 152.58 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 141' ' ' MET . . . -137.94 168.19 20.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.1 m -139.35 113.98 9.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.09 126.36 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.61 -158.3 20.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.582 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.413 ' HB3' ' CD2' ' A' ' 102' ' ' PHE . 33.9 p90 -170.91 126.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.815 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.95 -131.31 25.5 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.381 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.6 5.07 6.37 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.623 2.215 . . . . 0.0 113.043 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.6 t -112.99 116.75 53.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.809 0.338 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 69.6 m -125.05 115.41 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.015 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -109.12 118.24 36.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.693 ' OE1' HD11 ' A' ' 129' ' ' LEU . 2.6 pt20 -103.95 131.33 51.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.009 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' MET . . . . . 0.63 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 9.5 mmt -85.05 135.07 34.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.66 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.45 HG23 ' CD2' ' A' ' 129' ' ' LEU . 2.9 m -128.65 142.68 50.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' TYR . . . . . 0.647 ' O ' HD23 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -144.57 160.65 40.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.726 HD12 HD21 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -124.45 91.78 49.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.115 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.03 125.5 13.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.696 2.264 . . . . 0.0 112.23 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -135.23 46.61 1.03 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.483 ' O ' HG22 ' A' ' 147' ' ' THR . 11.3 m 58.26 21.84 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.736 0.303 . . . . 0.0 111.086 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 62.16 16.15 8.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.377 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -110.17 -51.06 2.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.969 0.414 . . . . 0.0 110.788 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -113.63 -25.03 8.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.027 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -92.34 127.77 9.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.565 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -179.45 38.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.79 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.9 t -118.17 141.71 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -105.81 147.13 28.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -137.67 129.92 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.23 122.05 46.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.54 144.67 41.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' MET . . . . . 0.5 ' HB2' ' HB2' ' A' ' 30' ' ' ALA . 1.2 mtt -103.0 137.29 41.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -129.27 126.57 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.91 142.71 51.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.58 120.12 31.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.412 ' O ' HD12 ' A' ' 163' ' ' LEU . 10.4 t80 -109.96 144.55 38.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 162' ' ' PHE . 1.9 mp -144.04 141.46 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 60.35 -178.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 2.4 t60 62.4 118.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -105.39 109.05 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.17 -175.85 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -143.41 35.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -167.64 -43.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.929 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mtt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.914 0.388 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -109.39 31.63 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.08 -56.15 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -28.9 57.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.11 -39.09 92.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -62.49 -40.83 97.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.6 mtm -64.48 -39.03 93.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -63.1 -31.94 73.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 -38.06 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.12 -43.08 58.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -30.96 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -31.34 67.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 17' ' ' THR . 1.9 t30 -78.19 -46.6 20.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.78 -37.93 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.79 98.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -67.37 -42.0 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 13' ' ' ASN . 31.7 p -62.35 -46.18 89.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -66.28 -33.56 76.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -28.98 57.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -64.93 112.0 7.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.47 169.61 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.427 2.085 . . . . 0.0 112.287 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -99.46 -46.09 5.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -136.81 168.51 19.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.37 108.73 15.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.57 147.03 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mp -117.4 147.18 42.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.731 ' O ' HD13 ' A' ' 28' ' ' ILE . 9.5 m-85 -128.79 117.74 21.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.731 HD13 ' O ' ' A' ' 27' ' ' TYR . 23.9 mm -140.2 138.82 19.74 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.26 149.19 23.02 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.452 2.101 . . . . 0.0 112.248 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' HG3' ' A' ' 158' ' ' MET . . . -124.08 -69.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 30' ' ' ALA . 19.6 pt -158.36 170.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.431 HG23 ' NE2' ' A' ' 34' ' ' HIS . 2.2 t -155.06 147.73 24.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -96.18 121.99 38.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.431 ' NE2' HG23 ' A' ' 32' ' ' THR . 41.8 m-70 -114.8 140.86 48.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.792 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.38 161.46 37.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -135.31 -58.45 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -161.78 -50.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.62 152.35 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.73 87.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 166.06 12.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -136.12 -65.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -176.56 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.74 27.69 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.022 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m 57.33 40.63 27.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -50.05 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.43 -173.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 59.72 59.41 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -113.41 166.13 11.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -111.44 136.15 51.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -106.6 88.3 3.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.93 101.57 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.584 2.189 . . . . 0.0 112.279 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -71.27 134.7 47.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.5 -179.15 41.73 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.423 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.41 -168.89 25.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.57 -144.08 6.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.546 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -130.89 173.9 10.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.39 164.58 29.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.543 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.19 168.03 19.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 m -142.15 169.36 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.34 144.32 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -110.95 119.96 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' HB2' ' CB ' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -100.08 137.03 39.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -22.87 6.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.572 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 35.07 0.92 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.12 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.39 47.55 68.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.849 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -121.98 111.31 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.928 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -97.98 93.07 6.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -78.79 162.83 25.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.76 141.62 6.47 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.79 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.869 HD22 ' CE1' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -132.36 166.22 22.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 179.862 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.499 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 10.1 p90 -152.09 118.49 5.63 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.613 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 85' ' ' ILE . . . -102.07 109.95 21.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.608 ' HB2' HD11 ' A' ' 85' ' ' ILE . 38.6 mtp -119.84 156.15 31.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB1' ' NE1' ' A' ' 82' ' ' TRP . . . -121.74 130.25 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -109.58 131.64 54.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -111.65 118.31 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.71 -175.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.7 m -69.58 -34.83 74.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -103.62 -73.94 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -166.54 105.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -162.22 88.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.422 ' NE1' ' HB1' ' A' ' 74' ' ' ALA . 4.0 t90 -73.02 130.38 40.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.22 98.76 4.3 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.07 160.05 40.37 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.517 2.145 . . . . 0.0 112.39 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.629 ' O ' HD12 ' A' ' 85' ' ' ILE . 2.4 pp -149.69 119.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -115.94 122.93 46.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.61 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -103.55 164.44 15.5 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.979 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.869 ' CE1' HD22 ' A' ' 70' ' ' LEU . 7.4 m-85 -156.08 130.92 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.693 0.282 . . . . 0.0 110.807 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.61 174.73 42.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.606 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.42 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 70.6 p-90 -126.82 146.38 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 110.839 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -143.65 157.9 44.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 m -102.79 125.07 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.1 p -80.5 139.22 36.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -133.95 115.27 14.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.43 ' HD2' ' CE1' ' A' ' 103' ' ' HIS . 1.1 ttt180 -133.66 141.58 40.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.01 168.22 21.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.534 2.156 . . . . 0.0 112.289 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.61 -40.39 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.21 71.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 60.43 84.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.8 -176.66 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -62.22 -32.01 72.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.35 124.45 20.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.43 ' CE1' ' HD2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -123.38 137.81 54.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 104' ' ' LEU . 4.3 mm? -116.7 139.15 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.621 ' C ' HD12 ' A' ' 106' ' ' LEU . . . -153.76 125.55 1.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.621 HD12 ' C ' ' A' ' 105' ' ' GLY . 11.0 mp -127.93 133.57 49.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.13 179.31 48.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.402 ' HD2' HD23 ' A' ' 126' ' ' LEU . 4.4 m-85 -104.53 154.81 19.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.5 ' OG1' HD12 ' A' ' 129' ' ' LEU . 44.7 p -139.49 142.5 37.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.88 114.01 27.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -86.33 109.67 3.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.28 117.15 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.577 ' HA ' HG22 ' A' ' 85' ' ' ILE . 26.2 m -99.04 148.91 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.04 175.86 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -87.19 153.13 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -132.2 -63.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -143.58 31.71 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -95.3 -71.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -174.79 -73.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -176.43 37.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.6 OUTLIER -135.41 116.97 12.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 162.87 1.81 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.398 2.065 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 123' ' ' LEU . 9.0 tt -114.89 86.99 14.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.83 160.38 48.03 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.537 2.158 . . . . 0.0 112.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.581 HG12 ' CD2' ' A' ' 127' ' ' LEU . 21.5 t -147.56 116.0 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.038 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -83.0 114.06 21.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.019 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.581 ' CD2' HG12 ' A' ' 125' ' ' VAL . 0.2 OUTLIER -150.04 144.52 17.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 53.2 Cg_endo -69.28 142.84 51.2 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.517 2.144 . . . . 0.0 112.337 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.5 HD12 ' OG1' ' A' ' 109' ' ' THR . 0.5 OUTLIER -141.67 131.33 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -105.72 163.32 12.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -144.92 124.85 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.45 129.51 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.763 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -109.21 140.85 15.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.772 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -158.13 111.79 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.175 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.49 -136.56 50.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.891 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -89.77 29.89 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.792 2.328 . . . . 0.0 112.664 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.24 136.99 29.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.919 0.39 . . . . 0.0 111.406 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.13 119.9 29.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.662 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -104.09 144.08 32.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -130.47 130.4 44.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.3 ttm -120.23 129.98 54.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 129' ' ' LEU . 11.4 t -117.32 151.82 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.169 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 154' ' ' TYR . 4.1 m-85 -132.86 132.76 42.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.639 ' O ' HG23 ' A' ' 144' ' ' ILE . 1.0 OUTLIER -105.94 103.48 44.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.216 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.19 169.86 1.88 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.512 2.141 . . . . 0.0 112.184 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 154.66 -177.87 31.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.616 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 64.8 p -88.61 54.41 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 64.14 -77.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -57.54 -28.03 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.071 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.34 26.99 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.071 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 168.35 -124.01 1.15 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.407 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.5 t30 61.24 32.97 19.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 154' ' ' TYR . 12.3 p -134.05 154.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.429 ' HB3' ' CE1' ' A' ' 143' ' ' TYR . 20.9 p90 -134.03 146.86 50.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -116.5 161.04 19.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.782 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.423 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -112.6 160.33 17.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -152.4 132.88 13.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' MET . . . . . 0.704 ' HG3' ' HB2' ' A' ' 30' ' ' ALA . 26.6 mtt -99.83 138.68 36.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -130.36 136.62 49.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.05 135.13 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.772 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -94.77 121.69 36.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.99 135.41 37.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.6 mp -127.06 155.49 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.34 125.84 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -138.11 -47.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.3 31.61 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -105.18 134.0 49.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 142.72 54.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -79.99 172.2 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.856 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.753 0.311 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -69.83 -31.07 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.2 ttt -72.37 -55.06 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -58.19 -30.79 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.27 -46.23 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD2' HD11 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -76.0 -44.88 37.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -30.22 67.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.029 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.93 -36.11 67.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.037 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 17' ' ' THR . 12.6 t30 -78.94 -36.68 41.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.625 HD11 ' CD2' ' A' ' 10' ' ' PHE . 15.4 mt -78.08 -36.0 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.261 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.12 64.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.272 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.91 -28.05 61.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.092 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 13' ' ' ASN . 19.0 p -81.07 -25.12 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.27 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -95.76 -28.45 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.242 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.086 -179.783 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.817 0.342 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -110.65 147.49 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -77.08 107.67 9.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.11 154.7 17.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 pp -149.84 133.35 16.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD1' ' HA3' ' A' ' 55' ' ' GLY . 24.8 p90 -127.5 159.83 33.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 29' ' ' PRO . 2.6 pp -154.33 158.72 32.38 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.51 ' O ' HD12 ' A' ' 28' ' ' ILE . 61.3 Cg_exo -51.76 148.01 23.11 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.555 2.17 . . . . 0.0 112.367 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.31 -65.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.749 HG13 ' HB3' ' A' ' 156' ' ' ALA . 21.3 pt -153.75 132.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 t -133.79 155.78 49.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.7 m0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -118.81 132.94 9.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.439 ' HA3' ' CD1' ' A' ' 27' ' ' TYR . . . -101.36 140.81 15.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.53 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -152.02 174.17 13.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.716 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.88 179.59 29.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.643 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -140.36 170.73 15.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -141.15 159.75 41.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -140.36 164.71 29.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -127.94 147.72 50.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' HB2' ' HB3' ' A' ' 66' ' ' ASN . 6.5 t0 -119.21 141.43 48.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.03 -20.73 26.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.382 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -92.08 34.99 0.99 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.744 0.307 . . . . 0.0 111.175 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.47 46.97 91.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.627 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB3' ' HB2' ' A' ' 62' ' ' ASP . 3.5 t-20 -117.32 148.47 41.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.431 ' CE3' HG21 ' A' ' 93' ' ' THR . 19.3 t-105 -126.48 101.1 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.05 134.85 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.587 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -122.01 112.93 2.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.716 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 87' ' ' GLY . 4.3 mm? -124.93 130.98 53.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.657 0.265 . . . . 0.0 110.655 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CE2' HG21 ' A' ' 109' ' ' THR . 23.2 m-85 -114.84 152.37 32.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.969 0.414 . . . . 0.0 110.971 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.38 109.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.622 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.403 ' HG3' ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -154.08 175.63 13.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.94 130.84 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.999 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -111.46 144.31 40.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -106.89 133.52 51.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -91.32 170.02 10.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.5 p -66.92 -30.68 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.424 ' CH2' ' HG3' ' A' ' 81' ' ' LYS . 54.3 p-90 -100.52 31.37 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.09 109.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HG3' ' CH2' ' A' ' 79' ' ' TRP . 0.0 OUTLIER -175.81 118.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -94.32 122.92 37.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -107.68 98.74 25.85 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.874 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 73.9 Cg_endo -77.51 134.22 13.68 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.555 2.17 . . . . 0.0 112.339 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.556 ' CD1' HG23 ' A' ' 113' ' ' THR . 19.5 mm -124.76 138.78 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . . . -138.15 121.1 16.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.726 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -103.9 151.75 17.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.463 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.421 ' HD2' HD11 ' A' ' 70' ' ' LEU . 50.4 t80 -157.25 114.75 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.817 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.23 -161.98 22.78 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.56 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -128.63 144.9 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.736 0.303 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -137.46 148.1 45.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -110.27 105.31 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.431 HG21 ' CE3' ' A' ' 67' ' ' TRP . 3.4 t -104.37 127.68 52.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -94.8 142.45 27.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 -108.25 146.56 33.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.12 -167.75 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.536 2.158 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mp -93.12 -73.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.32 -52.07 25.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -66.75 -177.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.06 -45.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -59.24 -44.32 92.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -62.71 117.58 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -125.86 143.96 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 105' ' ' GLY . 1.7 tt -144.33 127.09 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.571 ' N ' HD23 ' A' ' 104' ' ' LEU . . . -179.32 -174.47 45.43 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 105' ' ' GLY . 5.3 mp -144.76 170.9 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.24 -167.04 31.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -134.2 126.04 29.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.492 HG21 ' CE2' ' A' ' 71' ' ' TYR . 3.2 m -127.88 140.4 52.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.7 113.99 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.737 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -92.71 141.29 15.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 86' ' ' ALA . 35.5 m -115.86 117.8 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.556 HG23 ' CD1' ' A' ' 85' ' ' ILE . 2.3 m -99.08 111.83 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.874 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.265 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.658 0.266 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.98 121.59 7.73 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.563 2.176 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mt -128.0 140.78 39.19 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.55 160.82 25.28 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.63 2.22 . . . . 0.0 112.394 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 111' ' ' GLY . 28.8 m -150.09 142.65 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mt -94.26 127.85 40.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.592 HD11 HG22 ' A' ' 144' ' ' ILE . 4.4 tp -149.95 117.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 143' ' ' TYR . 72.9 Cg_endo -76.13 135.14 16.73 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.435 2.09 . . . . 0.0 112.371 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.578 HD23 ' OG1' ' A' ' 142' ' ' THR . 3.3 mp -131.24 177.75 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -146.74 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.1 m -126.9 117.64 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 132' ' ' VAL . 11.6 p -145.08 117.6 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.24 -169.68 38.01 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -165.41 120.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.764 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.7 -130.21 22.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.38 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -79.71 2.16 8.62 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.596 2.197 . . . . 0.0 112.877 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.4 t -110.82 98.94 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.853 0.359 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 88.8 m -111.39 126.76 55.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.623 ' HE1' ' HB1' ' A' ' 156' ' ' ALA . 0.2 OUTLIER -106.3 123.45 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.95 116.78 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 7.2 mtt -110.33 149.22 30.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.578 ' OG1' HD23 ' A' ' 129' ' ' LEU . 65.5 m -157.0 121.11 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 128' ' ' PRO . 9.1 p90 -112.76 156.36 22.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.592 HG22 HD11 ' A' ' 127' ' ' LEU . 2.0 pt -129.25 91.99 40.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--N 1.345 0.355 0 C-N-CA 122.626 2.217 . . . . 0.0 112.345 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 154' ' ' TYR . 21.4 t -108.0 157.09 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.443 ' N ' HG12 ' A' ' 153' ' ' VAL . 86.2 m-85 -127.46 142.76 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -121.06 147.3 45.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.749 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -139.39 126.13 20.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.47 ' CD1' ' HA ' ' A' ' 29' ' ' PRO . 22.6 m0 -137.6 159.49 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.4 mtt -85.85 150.33 24.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -143.85 133.31 23.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -128.7 143.38 50.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -100.27 110.95 23.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -131.82 172.74 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 37.7 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.802 0.334 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.765 ' O ' HG22 ' A' ' 9' ' ' THR . 0.7 OUTLIER -73.11 -29.89 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 ttm -77.85 -28.98 50.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -57.24 -44.01 83.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 6' ' ' TRP . 11.0 t -59.78 -29.99 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -42.0 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.698 ' HA ' HD12 ' A' ' 14' ' ' ILE . 6.0 ttm-85 -63.36 -37.03 85.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -35.17 75.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -62.55 -42.63 99.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 11' ' ' ARG . 4.7 mt -64.46 -42.0 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.95 86.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -69.34 -38.07 77.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 p -71.47 -36.5 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -65.92 -35.17 79.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.817 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.871 0.367 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -127.83 161.62 28.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -120.91 98.48 6.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -93.02 120.82 33.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 56' ' ' PHE . 3.5 mm? -102.32 135.16 44.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.423 ' CD1' ' HG2' ' A' ' 159' ' ' ARG . 10.0 m-85 -125.8 138.95 53.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pp -155.3 154.44 28.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.68 135.02 31.94 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.593 2.196 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.68 -75.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.676 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 1.3 tt -147.57 142.37 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.668 HG21 ' CE2' ' A' ' 155' ' ' PHE . 4.3 t -139.06 174.28 10.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.24 129.14 9.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -102.21 144.55 16.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.595 ' HB2' ' HB3' ' A' ' 72' ' ' ALA . 69.7 m-85 -152.06 173.96 14.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.735 0.303 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.17 159.64 29.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.549 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 59' ' ' SER . 7.7 tt -115.05 138.46 50.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.309 . . . . 0.0 110.768 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.625 ' O ' HD23 ' A' ' 58' ' ' LEU . 11.0 t -90.35 153.53 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.033 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.76 159.85 30.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -137.53 144.15 41.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -109.06 141.41 41.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -23.56 9.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.421 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -93.1 35.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.676 0.275 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.81 50.91 58.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.557 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -122.08 161.08 23.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.913 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.11 121.03 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -121.39 162.87 19.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.05 158.87 25.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.549 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.68 HD21 ' CZ ' ' A' ' 88' ' ' TYR . 7.4 mp -108.9 166.04 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 110.69 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 3.0 m-85 -116.96 118.75 33.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.779 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 56' ' ' PHE . . . -114.49 109.84 18.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.877 ' HB3' HD13 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -123.36 152.66 41.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.81 130.01 14.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -111.5 121.83 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 118.96 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.8 -174.95 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.8 p -81.02 -35.04 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -178.16 38.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -109.3 -77.58 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -178.74 151.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 82' ' ' TRP . 1.3 m95 -77.42 151.06 34.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.96 98.81 51.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.638 ' C ' HD12 ' A' ' 85' ' ' ILE . 86.3 Cg_endo -83.08 155.65 14.88 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.616 2.21 . . . . 0.0 112.424 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.877 HD13 ' HB3' ' A' ' 73' ' ' MET . 5.1 mp -147.12 132.58 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.11 117.9 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.18 -172.76 12.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.824 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.68 ' CZ ' HD21 ' A' ' 70' ' ' LEU . 47.4 m-85 -143.94 114.3 7.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.706 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -110.85 146.25 17.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.65 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -115.08 111.9 21.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.74 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -124.77 163.37 22.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t -142.02 107.86 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.7 t -84.68 145.77 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -144.49 129.86 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -85.2 126.56 67.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.68 -168.26 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.413 2.075 . . . . 0.0 112.275 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.1 tp -98.54 -31.03 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.19 -51.36 25.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.55 155.81 20.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -108.15 -58.01 2.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -64.15 -37.92 89.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -72.66 114.01 10.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -113.87 136.12 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.654 ' HG ' HG12 ' A' ' 132' ' ' VAL . 2.8 tt -118.66 119.8 35.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -131.77 178.94 17.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.612 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 2.9 mt -149.27 156.57 42.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.54 -164.14 33.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 108' ' ' PHE . 3.8 m-85 -136.21 170.95 15.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.76 0.314 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.626 ' OG1' HD21 ' A' ' 129' ' ' LEU . 80.6 p -142.76 129.71 20.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.546 ' CB ' HD23 ' A' ' 126' ' ' LEU . . . -134.43 114.77 13.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -136.38 -173.02 12.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.47 136.63 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.337 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.4 p -111.84 128.68 56.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.423 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.662 0.268 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.24 162.99 1.77 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.47 2.113 . . . . 0.0 112.378 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.37 104.84 53.1 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.792 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.28 155.66 68.52 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.419 2.079 . . . . 0.0 112.37 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 127' ' ' LEU . 12.3 p -145.0 135.02 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.627 ' C ' HD12 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -146.88 120.38 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.627 HD12 ' C ' ' A' ' 126' ' ' LEU . 4.9 mp -149.95 146.86 21.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.408 ' HB3' ' CD2' ' A' ' 108' ' ' PHE . 65.7 Cg_endo -73.76 153.01 48.15 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.53 2.153 . . . . 0.0 112.409 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.626 HD21 ' OG1' ' A' ' 109' ' ' THR . 0.4 OUTLIER -169.1 150.3 4.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.612 ' HB2' ' CD2' ' A' ' 106' ' ' LEU . . . -107.0 179.96 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -150.73 136.39 18.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.654 HG12 ' HG ' ' A' ' 104' ' ' LEU . 30.0 m -139.22 115.88 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -98.82 153.16 19.8 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.614 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -155.98 111.95 3.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.45 -133.26 51.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.111 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -88.07 23.56 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.715 2.276 . . . . 0.0 112.842 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.1 m -142.12 143.82 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.904 0.383 . . . . 0.0 111.184 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 91.5 m -124.99 132.81 53.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.85 144.0 37.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.52 144.16 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.3 mmt -133.29 130.39 38.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.7 t -120.22 152.05 38.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -130.9 137.03 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.03 91.95 37.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 C--N 1.345 0.345 0 C-N-CA 122.507 2.138 . . . . 0.0 112.282 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.4 t30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 32.6 t -114.14 151.51 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -126.73 144.52 50.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.668 ' CE2' HG21 ' A' ' 32' ' ' THR . 7.0 m-85 -117.8 133.05 56.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -94.32 123.33 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.96 134.54 54.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.9 136.52 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.423 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 50.4 mtp180 -122.62 139.31 54.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -119.46 145.39 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.82 114.29 27.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.56 148.63 39.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.845 0.355 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -34.33 77.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 mmt -79.01 -33.25 45.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.7 p -66.48 -36.9 83.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -60.12 -33.58 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.73 -32.07 72.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -31.83 69.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -74.49 -40.01 62.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.46 -54.24 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 15' ' ' ALA . 2.6 pp -59.64 -37.17 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' N ' HD12 ' A' ' 14' ' ' ILE . . . -63.5 -37.32 86.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -64.78 -53.39 47.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -64.12 -31.22 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -164.1 160.88 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 1.3 m-85 -100.72 126.4 47.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -92.3 137.73 32.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.12 127.63 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 43.2 m-85 -118.65 127.48 53.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.682 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -139.87 151.75 66.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.31 116.05 2.58 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.62 2.214 . . . . 0.0 112.332 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.76 -58.89 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 5.7 tt -165.29 134.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.665 HG22 ' CD1' ' A' ' 155' ' ' PHE . 0.8 OUTLIER -108.25 172.7 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.92 175.64 13.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.11 -148.31 13.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.552 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.749 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 3.0 p90 -138.34 174.05 10.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.54 -175.71 35.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.563 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.443 ' CD2' ' CE1' ' A' ' 24' ' ' TYR . 3.5 mm? -116.84 147.27 42.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 p -148.17 133.57 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.0 mtm-85 -129.87 121.12 26.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.78 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -100.02 140.23 34.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -111.06 146.69 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.62 -19.11 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.491 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -90.56 35.21 0.88 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.645 0.26 . . . . 0.0 111.291 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.76 51.38 57.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.647 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -122.03 139.79 53.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 110.922 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.438 ' HZ3' ' HG ' ' A' ' 131' ' ' SER . 2.8 t90 -137.98 90.02 2.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.408 ' CD2' ' NE1' ' A' ' 90' ' ' TRP . 21.9 t-160 -113.71 131.69 56.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.57 154.33 21.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.73 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 88' ' ' TYR . 5.2 mp -90.02 166.04 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.84 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 45.4 m-85 -133.47 118.86 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.77 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -107.71 110.3 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -133.54 161.62 34.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.33 130.13 24.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.66 158.19 18.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -99.41 135.55 40.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.72 176.54 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.1 t -63.77 -31.9 73.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -88.68 -78.43 0.34 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -178.65 61.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -134.82 154.4 51.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -102.09 155.0 18.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -136.95 102.0 9.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.11 152.76 79.38 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.343 2.029 . . . . 0.0 112.144 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 113' ' ' THR . 30.4 mt -144.94 142.51 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.315 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -137.96 117.89 13.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.568 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.41 ' CA ' ' HA3' ' A' ' 111' ' ' GLY . . . -139.51 143.66 14.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.949 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.421 ' CD2' ' HG ' ' A' ' 70' ' ' LEU . 76.5 m-85 -93.87 131.08 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.745 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -113.62 134.13 11.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.408 ' NE1' ' CD2' ' A' ' 68' ' ' HIS . 12.9 m95 -122.21 111.85 17.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.829 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -135.31 158.87 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.2 m -109.46 124.89 51.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.422 ' HB ' ' CE1' ' A' ' 103' ' ' HIS . 53.0 p -81.5 131.93 35.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -132.94 120.65 21.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.78 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -113.37 137.04 21.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 51.2 Cg_exo -53.95 -171.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.496 2.13 . . . . 0.0 112.299 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.495 ' H ' HD12 ' A' ' 97' ' ' LEU . 1.2 mp -82.8 -31.39 28.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.03 -27.08 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 t0 64.14 81.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -132.17 -176.95 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -57.52 -30.78 65.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.79 98.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.422 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 5.8 t-160 -104.75 150.24 24.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 mp -146.02 119.96 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -134.37 175.26 20.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.428 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 tt -160.59 152.21 19.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.68 -148.01 9.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -139.0 171.0 14.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.341 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.686 HG21 HD12 ' A' ' 129' ' ' LEU . 2.9 t -138.84 114.54 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.509 ' HB2' ' HG ' ' A' ' 126' ' ' LEU . . . -124.42 116.72 23.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.055 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.41 ' HA3' ' CA ' ' A' ' 87' ' ' GLY . . . -148.82 -175.88 21.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.527 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.0 m -120.12 152.55 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.656 HG23 HG12 ' A' ' 85' ' ' ILE . 11.4 m -118.8 146.74 44.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.689 0.28 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.3 158.16 48.93 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.454 2.103 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.581 HD23 HG13 ' A' ' 125' ' ' VAL . 2.9 tt -113.85 89.03 15.21 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.802 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.13 135.91 38.92 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.463 2.109 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.581 HG13 HD23 ' A' ' 123' ' ' LEU . 14.8 m -150.01 124.76 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.509 ' HG ' ' HB2' ' A' ' 110' ' ' ALA . 7.0 tt -112.89 126.6 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.567 ' CD2' HG23 ' A' ' 144' ' ' ILE . 3.5 mp -146.19 152.76 47.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.24 148.47 68.54 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.554 2.169 . . . . 0.0 112.294 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.686 HD12 HG21 ' A' ' 109' ' ' THR . 0.5 OUTLIER -151.94 130.0 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -100.18 167.12 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.438 ' HG ' ' HZ3' ' A' ' 67' ' ' TRP . 8.8 t -142.74 136.02 28.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.591 HG23 ' HB2' ' A' ' 139' ' ' PHE . 5.4 m -145.01 115.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.03 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.07 144.31 17.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.551 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -153.72 111.89 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.2 -134.18 52.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.094 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -88.62 27.79 0.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.717 2.278 . . . . 0.0 112.866 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 5.9 m -142.08 148.36 20.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.936 0.398 . . . . 0.0 111.341 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.09 118.2 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.765 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.591 ' HB2' HG23 ' A' ' 132' ' ' VAL . 5.0 m-85 -95.47 144.1 26.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -143.04 119.2 10.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.9 mtp -98.88 145.4 27.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 25.5 m -131.03 122.73 27.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -101.82 136.37 41.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.567 HG23 ' CD2' ' A' ' 127' ' ' LEU . 4.6 mt -127.45 91.97 44.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--N 1.345 0.392 0 C-N-CA 122.521 2.147 . . . . 0.0 112.346 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 6.8 t30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.454 HG23 ' HB ' ' A' ' 144' ' ' ILE . 15.6 m -139.55 126.83 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -107.23 133.61 51.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.665 ' CD1' HG22 ' A' ' 32' ' ' THR . 21.6 m-85 -128.74 138.01 51.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -106.13 140.69 38.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -133.26 122.49 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -87.27 154.67 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 27.5 ttt-85 -135.21 144.63 47.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -139.88 143.08 36.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.06 111.32 22.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -123.63 164.99 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.465 HD23 ' H ' ' A' ' 163' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.594 ' O ' HG22 ' A' ' 9' ' ' THR . 2.5 tm-20 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.817 0.342 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.63 -30.83 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.8 mmt -74.63 -31.1 61.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.6 p -73.65 -51.62 16.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 5' ' ' GLU . 2.2 t -59.68 -31.25 69.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -34.05 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -31.25 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -73.06 -31.16 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -72.53 -54.9 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 pt -59.79 -30.73 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.47 -41.95 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -63.19 -48.43 78.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -61.9 -30.97 71.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -80.52 -30.26 37.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.998 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.737 0.303 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.41 144.99 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -71.01 125.74 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -100.93 114.05 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tp -99.98 138.49 36.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -137.12 124.87 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 tp -156.0 133.28 6.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.76 146.04 47.49 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.453 2.102 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.73 -49.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.581 ' HB ' ' HB3' ' A' ' 156' ' ' ALA . 3.8 mp -109.59 137.72 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.475 HG23 ' CE1' ' A' ' 155' ' ' PHE . 12.4 m -154.61 110.44 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.29 176.7 41.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.04 -149.74 13.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.739 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 30.2 p90 -136.06 173.99 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.39 -158.93 12.13 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.495 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.5 mt -141.03 164.79 29.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.1 p -163.01 163.26 26.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -144.22 -175.94 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -127.76 128.25 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.39 146.54 28.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -53.01 -22.62 5.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.493 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -90.89 35.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.753 0.311 . . . . 0.0 111.223 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.08 49.53 58.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.682 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -122.04 161.0 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -132.2 109.49 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 90' ' ' TRP . 0.2 OUTLIER -126.89 136.88 52.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.82 149.33 14.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.634 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.54 ' H ' HD23 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -81.92 164.77 21.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.738 0.304 . . . . 0.0 110.813 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 5.8 m-85 -138.46 118.87 13.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.797 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -98.7 114.58 27.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.6 mtp -127.72 169.34 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -147.1 131.66 17.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -108.08 137.96 45.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.81 125.82 35.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -87.43 174.88 8.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.2 p -65.88 -30.9 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -72.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 179.55 -38.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -56.54 126.34 26.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -102.08 155.0 18.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.758 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.717 ' OE2' HG21 ' A' ' 113' ' ' THR . 7.6 pt-20 -114.18 121.22 36.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.631 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 57.9 Cg_endo -71.43 153.21 60.98 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.429 2.086 . . . . 0.0 112.181 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mt -137.33 120.01 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.282 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -124.42 117.86 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.66 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.7 141.33 9.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.914 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.43 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 23.0 m-85 -91.94 125.42 36.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 110.682 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.04 133.09 11.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.433 ' CD1' ' HB3' ' A' ' 68' ' ' HIS . 18.8 m-90 -113.85 115.61 28.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.749 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -138.16 155.34 48.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.98 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 m -117.24 108.31 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.2 m -75.83 137.68 40.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -118.33 143.99 46.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.83 112.01 30.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -51.59 -178.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.436 2.09 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -29.74 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.49 -29.69 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.11 88.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -146.68 176.05 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -60.05 -36.7 77.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.86 127.22 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.55 156.02 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.54 128.39 18.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.24 175.78 21.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -129.51 145.58 51.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.46 175.91 46.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.562 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 128' ' ' PRO . 7.6 m-85 -119.87 169.76 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.356 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 73.5 m -134.54 108.95 8.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.67 122.97 48.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.33 -164.2 10.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.2 t -149.92 142.81 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.067 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.717 HG21 ' OE2' ' A' ' 83' ' ' GLU . 4.6 m -101.06 119.31 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.631 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.8 mt . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.666 0.269 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.74 159.85 6.35 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.533 2.155 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 tp -138.99 94.08 10.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.21 144.69 63.73 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.487 2.125 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.7 t -147.37 141.62 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -119.23 142.05 48.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.895 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 126' ' ' LEU . 3.3 mp -147.98 117.03 4.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.42 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 64.6 Cg_endo -73.45 146.97 40.44 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.488 2.125 . . . . 0.0 112.343 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.4 pp -164.55 167.88 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.525 ' HB2' HD22 ' A' ' 106' ' ' LEU . . . -130.73 139.0 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 m -94.36 116.65 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.8 p -144.96 128.81 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.064 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.14 -155.21 11.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.547 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -144.77 112.02 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.974 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.59 -117.14 10.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.703 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.11 -17.57 27.98 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.483 2.122 . . . . 0.0 112.652 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.1 t -86.04 117.94 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 0.0 111.096 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.9 m -124.95 108.94 12.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -105.42 117.79 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.54 123.24 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 16.3 mtt -106.08 130.31 54.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.89 151.72 26.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -108.11 138.33 44.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.46 HD11 ' HD2' ' A' ' 155' ' ' PHE . 3.9 mt -120.96 91.96 48.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo . . . . . 0 C--N 1.346 0.424 0 C-N-CA 122.49 2.127 . . . . 0.0 112.363 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . 0.439 ' ND2' HG23 ' A' ' 153' ' ' VAL . 7.2 p-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.439 HG23 ' ND2' ' A' ' 152' ' ' ASN . 21.3 t -120.18 131.99 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -108.64 144.83 35.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.475 ' CE1' HG23 ' A' ' 32' ' ' THR . 0.1 OUTLIER -125.99 137.41 53.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.581 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . . . -118.21 143.65 46.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -140.47 123.36 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 8.5 mtm -90.91 130.67 36.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -126.09 133.98 51.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -134.54 146.99 50.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 134.14 45.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.62 125.14 45.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.856 0.36 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -66.39 -31.2 71.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.0 mtm -78.31 -33.14 49.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -64.26 -47.27 80.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -42.88 99.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.67 -31.44 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.73 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.95 -37.27 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.76 -42.69 97.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.64 -34.49 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.15 73.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -76.76 -45.89 27.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -30.5 70.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.75 -34.2 66.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.807 0.336 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.21 167.44 20.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -122.22 114.66 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -112.19 167.17 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.456 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -120.9 128.33 52.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -105.63 124.56 49.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.456 HD11 HD23 ' A' ' 26' ' ' LEU . 4.0 mp -141.63 136.09 15.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 28' ' ' ILE . 37.1 Cg_endo -65.76 116.41 3.94 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.425 2.084 . . . . 0.0 112.282 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.76 -76.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.42 ' H ' ' HB3' ' A' ' 156' ' ' ALA . 28.0 pt -150.98 171.03 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 t -145.32 163.72 33.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.6 t90 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.35 166.65 34.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.77 175.9 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -148.02 141.64 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.832 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.654 ' C ' HD12 ' A' ' 58' ' ' LEU . . . -98.25 137.85 13.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.539 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 57' ' ' GLY . 5.1 mp -151.41 150.97 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.697 0.284 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.0 m -167.98 173.31 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.54 165.9 35.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -101.75 128.6 48.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -94.68 136.97 34.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.91 -22.85 6.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.542 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.57 35.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.696 0.284 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 53.21 43.8 64.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.685 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -122.04 161.09 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 111.031 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -124.37 94.42 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.79 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -70.57 124.81 25.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.88 120.59 6.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 1.3 tp -117.99 151.68 36.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.643 0.259 . . . . 0.0 110.808 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -137.92 165.05 27.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.02 109.95 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 mtp -126.99 177.08 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB1' ' HE1' ' A' ' 82' ' ' TRP . . . -162.2 130.89 4.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -123.24 151.6 42.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -130.94 131.11 44.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.81 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.89 -168.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.5 m -82.56 -34.95 27.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -100.24 37.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.25 105.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -158.77 86.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.427 ' HE1' ' HB1' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -74.44 126.05 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -130.35 98.79 20.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.967 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.673 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 94.9 Cg_endo -79.07 159.87 26.89 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.563 2.176 . . . . 0.0 112.324 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.465 HD12 ' HB ' ' A' ' 113' ' ' THR . 19.0 tt -164.08 136.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.221 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.06 148.87 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.76 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -103.83 157.23 17.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.418 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.412 ' HE1' HG13 ' A' ' 112' ' ' VAL . 31.1 p90 -157.19 110.01 2.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.47 -162.98 12.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.559 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 18.1 m-90 -123.69 145.64 48.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -146.84 150.39 35.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.7 p -115.98 99.93 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.3 p -94.98 125.72 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -125.0 143.71 50.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -131.87 138.98 33.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.76 158.48 43.08 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.432 2.088 . . . . 0.0 112.298 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mp -83.11 -31.24 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.96 -30.59 70.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.77 143.28 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -110.52 -30.61 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -31.55 67.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -82.44 133.87 35.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.516 ' C ' HD12 ' A' ' 104' ' ' LEU . 3.5 m80 -137.43 138.74 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.516 HD12 ' C ' ' A' ' 103' ' ' HIS . 8.4 mp -132.12 163.26 28.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.83 152.55 13.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mt -150.63 141.25 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.54 -176.21 44.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 128' ' ' PRO . 7.2 m-85 -114.93 157.23 23.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.585 ' OG1' HD21 ' A' ' 129' ' ' LEU . 78.8 p -139.35 142.57 37.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 88' ' ' TYR . . . -113.69 114.07 25.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.22 125.09 8.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.502 HG12 ' CA ' ' A' ' 124' ' ' PRO . 4.3 m -117.4 118.43 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.153 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.617 HG23 HD12 ' A' ' 123' ' ' LEU . 9.8 t -99.57 139.4 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.673 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.652 0.263 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.72 156.85 56.69 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.532 2.155 . . . . 0.0 112.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.617 HD12 HG23 ' A' ' 113' ' ' THR . 10.8 mt -109.49 87.47 5.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.502 ' CA ' HG12 ' A' ' 112' ' ' VAL . 70.1 Cg_endo -74.64 148.75 37.5 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.617 2.211 . . . . 0.0 112.394 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.03 115.91 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.96 132.13 43.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 43.0 mt -149.82 131.69 7.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.427 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 72.6 Cg_endo -76.65 126.1 8.68 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.53 2.153 . . . . 0.0 112.251 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.585 HD21 ' OG1' ' A' ' 109' ' ' THR . 2.5 pp -142.13 155.62 45.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -109.27 166.64 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.3 p -129.93 131.73 46.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.472 HG23 ' HB3' ' A' ' 139' ' ' PHE . 16.4 m -141.23 116.06 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.058 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -108.37 158.19 14.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -155.36 112.0 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.724 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 61.61 -134.34 47.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.271 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -87.37 27.42 0.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.739 2.292 . . . . 0.0 112.746 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.03 149.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.176 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 26.5 m -124.93 145.05 50.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.472 ' HB3' HG23 ' A' ' 132' ' ' VAL . 0.4 OUTLIER -127.91 141.75 51.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.577 ' NE2' HD13 ' A' ' 129' ' ' LEU . 4.7 tp60 -132.72 144.0 49.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.0 tpp -140.76 137.48 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.545 HG23 ' HB3' ' A' ' 129' ' ' LEU . 14.2 m -124.08 119.19 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -127.37 162.08 27.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.655 ' O ' HG23 ' A' ' 144' ' ' ILE . 0.6 OUTLIER -135.91 91.99 16.97 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo . . . . . 0 C--N 1.345 0.363 0 C-N-CA 122.599 2.199 . . . . 0.0 112.298 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.909 0.385 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.0 m -151.68 137.72 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -129.14 127.46 41.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -108.59 130.0 55.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.42 ' HB3' ' H ' ' A' ' 31' ' ' ILE . . . -91.1 153.59 19.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.428 ' CZ3' ' HB3' ' A' ' 155' ' ' PHE . 0.0 OUTLIER -153.7 150.3 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -117.59 145.62 44.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -129.15 125.26 36.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.83 140.46 32.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.66 108.06 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -139.01 153.44 48.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 163' ' ' LEU . 2.8 pp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -63.4 -34.31 77.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mmt -69.46 -31.77 70.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -64.89 -42.31 94.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.2 -38.35 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -42.08 70.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -59.48 -40.67 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -64.24 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -75.09 -57.03 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 pt -60.8 -29.8 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.85 -50.66 61.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -59.08 -32.3 69.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.8 m -71.22 -30.56 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -56.39 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -158.78 126.74 5.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -100.12 109.41 21.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -92.83 147.21 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.65 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 2.6 mp -102.16 158.42 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -138.27 132.16 31.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.9 tt -155.65 138.98 10.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.48 153.12 14.42 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.457 2.105 . . . . 0.0 112.284 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' HB1' HD12 ' A' ' 31' ' ' ILE . . . -129.32 -67.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.447 HD12 ' HB1' ' A' ' 30' ' ' ALA . 3.8 mp -140.26 138.98 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 m -133.7 154.28 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 74' ' ' ALA . . . -172.36 -172.78 38.47 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.82 -170.27 43.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.65 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 6.1 m-85 -114.94 174.03 6.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.749 0.309 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.46 162.7 30.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -136.29 131.81 34.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -105.48 169.03 8.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.5 137.67 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -99.97 124.1 44.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -87.59 143.16 27.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.15 -23.09 12.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.395 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -93.31 35.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.62 51.9 53.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.656 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.36 158.77 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -136.58 96.04 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 2.8 p80 -134.02 152.03 51.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.37 174.93 46.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.57 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -104.17 162.07 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.668 0.271 . . . . 0.0 110.836 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 16.9 p90 -146.01 118.92 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.822 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.58 114.68 27.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.279 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -102.66 175.23 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.646 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 54' ' ' GLY . . . -150.61 130.5 13.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -116.39 116.1 27.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -82.96 131.88 35.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -115.4 134.58 54.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 79' ' ' TRP . 0.6 OUTLIER -59.28 -20.77 57.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.446 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 27.1 m-90 -128.27 -44.83 1.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.622 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.67 -161.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.649 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.57 179.71 4.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -60.16 124.2 19.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -104.54 99.07 16.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 70.0 Cg_endo -74.4 148.19 37.87 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.555 2.17 . . . . 0.0 112.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 113' ' ' THR . 18.9 mt -149.23 124.76 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -115.52 117.85 31.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -119.49 135.83 11.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.367 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 68' ' ' HIS . 8.9 t80 -110.03 113.69 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.988 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.48 ' HA3' HG22 ' A' ' 109' ' ' THR . . . -122.47 143.34 15.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.568 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 90' ' ' TRP . 41.2 p90 -120.01 120.97 37.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -135.36 167.87 20.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.6 t -103.85 129.87 51.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.886 HG22 ' CE1' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -98.54 130.08 45.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.988 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -136.16 146.23 46.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -124.93 148.59 60.33 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.09 -168.02 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.59 2.194 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.85 -34.09 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.04 -51.99 11.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -100.79 162.64 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -123.39 -38.1 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -62.34 -46.08 90.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -59.36 120.31 9.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.886 ' CE1' HG22 ' A' ' 93' ' ' THR . 0.3 OUTLIER -130.4 131.01 45.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.482 ' HB3' HG23 ' A' ' 132' ' ' VAL . 0.8 OUTLIER -128.68 138.71 52.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.74 161.53 28.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.539 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mp -142.79 151.2 40.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.51 -161.8 28.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.1 141.2 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.48 HG22 ' HA3' ' A' ' 89' ' ' GLY . 3.6 p -109.99 120.88 43.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.56 127.44 19.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -160.41 -147.98 5.1 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 m -135.33 148.23 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 111.24 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.793 HG23 HG12 ' A' ' 85' ' ' ILE . 77.7 m -113.05 137.45 51.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.422 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.1 mt . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.532 0.206 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.16 147.17 78.59 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.38 2.054 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.52 91.67 17.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.3 133.41 42.25 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.54 2.16 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.4 m -139.36 152.03 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.88 114.31 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.668 HD12 ' OG1' ' A' ' 142' ' ' THR . 0.3 OUTLIER -150.02 150.13 29.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 14.5 Cg_exo -68.77 139.14 43.0 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.66 2.24 . . . . 0.0 112.2 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 140' ' ' GLN . 9.2 tt -150.15 140.83 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.22 137.53 42.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.9 p -109.32 120.72 43.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 104' ' ' LEU . 12.2 p -144.98 131.75 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.36 -141.84 3.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -164.25 122.59 1.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.337 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.47 -130.38 23.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.373 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.54 2.78 8.08 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.495 2.13 . . . . 0.0 112.93 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.6 t -109.24 109.81 29.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.8 0.333 . . . . 0.0 111.205 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.408 ' HG1' ' HB3' ' A' ' 159' ' ' ARG . 29.1 p -125.03 108.95 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -84.93 125.94 33.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.508 ' HG2' HD21 ' A' ' 129' ' ' LEU . 5.5 mt-30 -121.24 113.92 20.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 39.5 mtm -117.28 151.44 36.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.668 ' OG1' HD12 ' A' ' 127' ' ' LEU . 1.5 t -129.49 141.59 50.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -116.08 108.41 16.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.403 HD12 ' HD2' ' A' ' 145' ' ' PRO . 3.3 tp -92.28 134.27 28.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.403 ' HD2' HD12 ' A' ' 144' ' ' ILE . 58.7 Cg_endo . . . . . 0 C--N 1.347 0.448 0 C-N-CA 122.451 2.1 . . . . 0.0 112.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 42.1 t30 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.815 0.341 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 154' ' ' TYR . 21.2 t -110.47 154.02 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.401 ' N ' HG12 ' A' ' 153' ' ' VAL . 22.8 m-85 -125.56 139.04 53.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -132.96 136.23 45.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -119.51 137.86 53.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -138.06 137.12 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.6 ttp -97.88 134.32 41.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.408 ' HB3' ' HG1' ' A' ' 138' ' ' THR . 1.7 ttt180 -124.77 135.1 52.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.24 147.06 31.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -100.69 116.55 32.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.69 130.43 54.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.791 0.329 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -68.6 -35.67 77.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 ttt -70.57 -31.52 68.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -66.15 -41.28 90.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.8 t -74.17 -39.08 63.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.68 -44.3 82.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -50.17 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.69 -31.83 72.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.581 ' O ' HG23 ' A' ' 17' ' ' THR . 0.1 OUTLIER -69.21 -45.71 69.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.674 HG22 ' CD1' ' A' ' 18' ' ' TRP . 17.5 mt -72.42 -31.45 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -32.19 72.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.71 -42.93 32.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 13' ' ' ASN . 72.5 p -59.84 -52.54 65.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.674 ' CD1' HG22 ' A' ' 14' ' ' ILE . 17.9 m95 -60.58 -33.49 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.815 0.34 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -98.15 118.35 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.2 115.31 25.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -116.64 154.86 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.44 146.46 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.424 ' O ' HG23 ' A' ' 28' ' ' ILE . 54.9 t80 -138.98 118.98 13.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 27' ' ' TYR . 9.8 pt -155.93 158.54 31.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.9 165.62 0.78 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.595 2.197 . . . . 0.0 112.356 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.537 ' HB2' ' HG3' ' A' ' 158' ' ' MET . . . -142.69 -67.0 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tt -166.08 145.19 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.431 HG21 ' CE2' ' A' ' 155' ' ' PHE . 19.3 p -144.54 171.44 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 10.0 m95 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.48 -162.43 32.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.24 -149.5 9.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.613 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 17.5 p90 -108.89 160.85 15.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.13 177.42 16.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 mp -138.58 175.05 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.365 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.3 p -153.67 146.29 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -132.93 121.5 22.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -99.95 113.75 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.9 OUTLIER -87.65 144.88 26.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -57.8 -18.95 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.464 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -89.87 35.08 0.84 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.623 0.249 . . . . 0.0 111.232 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.59 47.1 86.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.714 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 18.4 m-20 -122.04 151.86 40.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -137.7 92.06 2.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.75 155.31 40.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.21 124.26 4.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.637 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.618 HD23 ' H ' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -111.31 146.89 36.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.574 0.226 . . . . 0.0 110.641 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.715 ' HE2' HG21 ' A' ' 109' ' ' THR . 22.8 m-85 -126.91 118.8 25.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -121.24 110.01 15.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -142.81 178.03 7.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.238 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.61 129.96 23.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.982 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -118.05 152.84 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.27 142.28 36.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.2 175.32 5.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -75.48 -15.83 60.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -92.72 17.69 9.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.31 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 55.52 85.2 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.324 . . . . 0.0 111.036 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.3 170.4 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 17.7 m-90 -115.38 114.97 25.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.05 98.92 12.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.78 151.47 78.66 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.453 2.102 . . . . 0.0 112.338 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.8 mm -122.08 138.57 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.033 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -137.87 117.76 13.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -113.33 152.86 17.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.311 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -157.16 112.34 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.63 -173.12 19.82 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -105.01 140.1 38.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.766 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -144.38 133.95 23.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.23 140.79 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.7 m -99.58 138.64 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -146.01 121.59 10.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -132.19 141.79 42.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.08 -176.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.419 2.079 . . . . 0.0 112.333 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.02 -40.17 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.59 -31.93 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -133.76 162.19 32.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -124.89 23.63 7.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.14 -50.97 5.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -61.6 98.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -83.02 140.29 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.415 ' HG ' HG12 ' A' ' 132' ' ' VAL . 0.2 OUTLIER -141.52 140.88 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.26 143.71 7.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.9 mp -140.77 150.29 43.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.81 -168.29 41.38 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' A' ' 128' ' ' PRO . 6.1 m-85 -125.31 145.85 49.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.785 0.326 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.715 HG21 ' HE2' ' A' ' 71' ' ' TYR . 1.1 p -114.32 136.9 52.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.97 114.59 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -145.39 -149.4 5.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 124' ' ' PRO . 15.8 m -148.06 162.52 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 111.071 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.606 HG23 ' HB2' ' A' ' 123' ' ' LEU . 1.3 t -127.61 160.75 30.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.635 0.255 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.82 163.03 40.56 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.498 2.132 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.606 ' HB2' HG23 ' A' ' 113' ' ' THR . 5.8 mt -112.85 90.08 14.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.428 ' HA ' HG12 ' A' ' 112' ' ' VAL . 76.3 Cg_exo -50.1 140.95 31.6 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.584 2.19 . . . . 0.0 112.436 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 125' ' ' VAL . 31.6 m -149.83 121.07 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.04 123.29 40.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 mp -148.42 129.55 7.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.73 ' O ' HG23 ' A' ' 142' ' ' THR . 72.0 Cg_endo -74.66 150.21 39.57 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.506 2.138 . . . . 0.0 112.323 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.452 HD21 ' HE2' ' A' ' 71' ' ' TYR . 4.3 pp -165.55 173.65 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.02 166.3 27.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.9 t -127.49 123.43 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.415 HG12 ' HG ' ' A' ' 104' ' ' LEU . 6.0 m -145.05 127.17 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.98 -148.59 6.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -170.98 128.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.09 -131.79 28.02 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.523 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -83.3 9.32 4.15 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.705 2.27 . . . . 0.0 113.281 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 m -122.46 106.6 18.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.9 0.381 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.0 m -118.36 117.15 28.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.76 142.71 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -129.57 142.68 50.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.01 146.87 50.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 128' ' ' PRO . 11.1 m -138.34 146.47 42.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -109.01 149.13 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 153' ' ' VAL . 3.7 mp -130.2 91.95 37.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--N 1.345 0.385 0 C-N-CA 122.526 2.151 . . . . 0.0 112.297 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 144' ' ' ILE . 21.4 t -136.01 158.8 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.472 ' N ' HG12 ' A' ' 153' ' ' VAL . 0.1 OUTLIER -118.36 117.12 28.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.431 ' CE2' HG21 ' A' ' 32' ' ' THR . 5.7 m-85 -107.67 134.78 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -111.78 143.65 42.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -137.61 144.17 41.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . 0.537 ' HG3' ' HB2' ' A' ' 30' ' ' ALA . 12.9 mtp -89.0 136.59 32.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 17.0 ttp85 -128.76 143.71 50.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . 0.493 ' CD1' ' CE2' ' A' ' 162' ' ' PHE . 0.7 OUTLIER -122.36 146.55 47.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -114.29 126.07 54.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 160' ' ' PHE . 16.9 m-85 -135.32 115.04 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 163' ' ' LEU . 1.4 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.848 0.356 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -31.68 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.9 ttt -72.92 -32.25 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 m -60.69 -49.86 75.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.5 p -70.54 -39.55 73.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 14' ' ' ILE . 42.4 t80 -61.61 -40.58 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -62.58 -47.45 83.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.06 -32.16 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -72.75 -57.07 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.447 HG21 ' CE2' ' A' ' 10' ' ' PHE . 2.6 pp -61.8 -32.11 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.199 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.25 -30.76 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -36.07 70.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p -78.6 -37.84 41.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -39.41 79.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.893 0.377 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.489 ' CG ' HD12 ' A' ' 163' ' ' LEU . 1.2 t-80 -149.71 117.98 6.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -90.55 115.6 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.23 148.21 47.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.712 ' HB3' HD11 ' A' ' 28' ' ' ILE . 6.5 mp -111.95 124.72 53.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.6 ' C ' HD12 ' A' ' 28' ' ' ILE . 1.2 t80 -101.28 118.74 37.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 26' ' ' LEU . 3.5 mp -142.9 135.96 13.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.09 150.54 77.44 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.448 2.099 . . . . 0.0 112.296 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.06 -75.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' ' 156' ' ' ALA . 27.9 mm -112.23 140.49 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.7 p -154.48 133.35 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.6 m0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.09 -172.79 23.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.75 -152.9 8.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.586 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.683 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 94.3 m-85 -130.92 173.96 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 111.008 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.63 169.56 24.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 59' ' ' SER . 0.4 OUTLIER -150.84 155.67 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.344 . . . . 0.0 110.926 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.472 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -136.69 160.0 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -141.62 159.3 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 24.9 p-90 -121.61 125.95 47.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.05 140.34 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.07 -18.19 45.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.358 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -91.86 35.13 0.97 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.665 0.269 . . . . 0.0 111.215 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.27 44.04 96.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.588 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -122.0 161.01 23.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -137.92 93.24 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.03 148.65 48.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.25 125.01 2.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 87' ' ' GLY . 6.6 tp -111.12 151.2 28.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.677 0.275 . . . . 0.0 110.799 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.434 ' OH ' HG21 ' A' ' 109' ' ' THR . 21.1 m-85 -121.39 155.61 34.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -150.32 109.99 4.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.527 ' CB ' HD12 ' A' ' 85' ' ' ILE . 4.1 mmm -133.89 144.36 48.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.045 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -138.38 136.88 36.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.67 124.06 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.43 120.9 39.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -167.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -87.16 -32.99 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.8 p-90 -162.75 31.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -108.66 -80.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 178.15 -173.59 0.14 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.809 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -89.6 134.09 34.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.55 98.85 15.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.21 160.07 29.72 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.626 2.217 . . . . 0.0 112.492 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.527 HD12 ' CB ' ' A' ' 73' ' ' MET . 22.5 mt -149.25 133.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.15 119.96 15.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.799 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -103.74 155.96 17.7 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.674 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -157.24 109.99 2.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.747 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.15 178.78 23.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.619 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -122.41 122.12 38.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -129.44 167.87 17.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -123.31 116.13 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.5 m -90.74 127.59 36.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -125.83 129.83 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -105.7 126.0 31.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 50.9 Cg_exo -53.95 177.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.452 2.102 . . . . 0.0 112.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 mp -111.0 -39.55 4.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.75 74.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.4 122.33 12.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -96.38 41.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.07 -31.37 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 96' ' ' PRO . 32.4 p90 -112.5 140.81 46.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.981 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -109.81 148.49 31.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.752 ' HA ' HG12 ' A' ' 132' ' ' VAL . 4.3 mt -123.69 144.17 49.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.41 140.88 8.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.2 OUTLIER -143.39 134.56 25.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.5 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 167.29 -174.36 42.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -103.11 157.42 17.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 110.798 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.434 HG21 ' OH ' ' A' ' 71' ' ' TYR . 33.0 p -135.06 117.1 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.786 ' HB2' ' HG ' ' A' ' 126' ' ' LEU . . . -119.81 114.0 21.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.787 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.402 ' HA3' ' HA2' ' A' ' 87' ' ' GLY . . . -130.47 -172.23 13.09 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.768 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.2 m -129.28 125.35 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.83 126.05 52.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.931 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.7 mm . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.571 0.224 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.08 163.0 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.472 2.115 . . . . 0.0 112.396 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 123' ' ' LEU . 2.3 pp -126.06 120.81 23.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.43 162.45 12.27 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.444 2.096 . . . . 0.0 112.222 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.589 HG12 ' CD2' ' A' ' 127' ' ' LEU . 21.5 t -150.04 115.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.786 ' HG ' ' HB2' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -117.45 114.74 23.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.589 ' CD2' HG12 ' A' ' 125' ' ' VAL . 1.2 pt? -150.03 159.23 35.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.414 ' O ' HG22 ' A' ' 142' ' ' THR . 14.8 Cg_exo -68.8 142.69 53.13 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.724 2.282 . . . . 0.0 112.175 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.895 HD12 HG23 ' A' ' 142' ' ' THR . 7.4 tt -149.97 153.81 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.535 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -139.91 139.94 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 p -112.24 114.02 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 104' ' ' LEU . 15.4 m -141.33 139.91 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -169.57 -153.34 8.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.695 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.459 ' O ' HG22 ' A' ' 137' ' ' VAL . 35.0 m-85 -142.54 111.89 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.93 -121.26 11.69 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.779 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -84.39 -0.51 9.45 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.743 2.296 . . . . 0.0 113.465 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 134' ' ' TYR . 3.2 m -110.15 112.37 40.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.851 0.358 . . . . 0.0 111.245 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 159' ' ' ARG . 5.5 t -118.56 137.3 53.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -114.16 135.98 53.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.1 134.22 47.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.14 129.95 48.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.895 HG23 HD12 ' A' ' 129' ' ' LEU . 0.4 OUTLIER -117.03 141.94 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -123.74 115.84 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 1.072 HD13 HG23 ' A' ' 153' ' ' VAL . 3.9 mp -102.51 93.74 4.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.045 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo . . . . . 0 C--N 1.345 0.384 0 C-N-CA 122.48 2.12 . . . . 0.0 112.368 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.771 0.32 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 1.072 HG23 HD13 ' A' ' 144' ' ' ILE . 5.5 m -132.32 159.68 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.64 146.83 47.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.812 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -137.22 121.33 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . . . -110.52 150.51 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -145.01 171.37 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 36.0 mtm -123.43 134.05 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.448 ' O ' HG22 ' A' ' 138' ' ' THR . 0.9 OUTLIER -133.93 122.47 23.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -93.01 125.61 37.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -94.25 123.16 37.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -138.75 117.07 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.489 HD12 ' CG ' ' A' ' 23' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m0 -75.08 -53.59 8.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -30.13 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.8 m -60.54 -55.91 27.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.785 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.3 p -60.71 -44.62 96.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.35 -41.2 96.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -70.75 -31.26 68.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.67 -30.47 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -78.4 -43.24 27.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.1 mt -71.42 -46.15 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.17 98.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -61.73 -46.51 89.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -70.69 -30.67 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.14 -39.69 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.997 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.901 0.381 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.539 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.6 m170 -109.04 123.36 49.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -118.49 107.15 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -114.87 132.62 56.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.62 126.31 48.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.436 ' O ' HG23 ' A' ' 28' ' ' ILE . 41.2 t80 -100.56 128.17 46.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 27' ' ' TYR . 11.2 pt -156.07 156.42 30.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.21 166.89 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.531 2.154 . . . . 0.0 112.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.681 ' HB1' HD12 ' A' ' 31' ' ' ILE . . . -141.19 -73.8 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.681 HD12 ' HB1' ' A' ' 30' ' ' ALA . 3.9 mp -144.3 151.1 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.8 m -155.99 127.92 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.07 -179.72 43.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.13 -143.99 7.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -140.93 174.06 10.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.3 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.95 135.41 4.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.608 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 23' ' ' HIS . 6.7 tp -107.54 137.18 46.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.787 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.44 139.18 52.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -110.52 159.68 17.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -99.97 124.24 45.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.037 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.36 136.92 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.709 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.75 -24.06 8.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.392 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.45 33.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.853 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.91 48.37 73.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.99 161.23 23.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.358 . . . . 0.0 111.2 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.51 92.75 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -120.69 140.01 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.27 -170.81 35.81 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.394 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.469 HD21 HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -94.37 165.23 12.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.839 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -135.9 118.84 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.664 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.87 129.07 49.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.237 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.59 ' HB3' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -148.63 122.26 9.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.23 130.02 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -108.06 111.03 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.744 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -98.65 141.1 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.88 162.56 13.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -62.13 -19.41 62.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -144.92 -43.79 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -170.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -96.62 -174.44 3.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 14.5 p-90 -108.39 142.33 38.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.46 109.65 48.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.1 160.05 40.3 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.483 2.122 . . . . 0.0 112.236 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.59 HD12 ' HB3' ' A' ' 73' ' ' MET . 44.5 mt -145.57 135.18 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.249 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.08 117.83 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.672 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.16 169.08 26.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.884 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -95.9 118.04 31.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.29 113.43 4.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.638 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -104.3 111.96 24.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.789 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -119.09 130.76 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.022 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -108.2 104.78 14.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.06 137.47 45.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.02 137.55 24.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -128.83 133.64 25.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.907 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 40.0 Cg_exo -57.04 -162.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.509 2.139 . . . . 0.0 112.164 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.3 tp -85.52 -30.24 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.83 -29.82 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.193 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.7 t0 62.67 119.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -170.97 -176.88 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.438 ' HB2' ' CE1' ' A' ' 134' ' ' TYR . 2.1 m-80 -71.11 -23.99 62.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -53.69 107.7 0.28 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -98.06 120.26 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.563 ' HG ' HG22 ' A' ' 132' ' ' VAL . 0.4 OUTLIER -138.78 133.5 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.81 -156.8 11.84 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.575 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 107' ' ' GLY . 1.2 tt -108.51 155.15 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.544 ' N ' HD23 ' A' ' 106' ' ' LEU . . . -147.65 130.74 3.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -128.11 128.15 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 1.094 HG23 HD21 ' A' ' 129' ' ' LEU . 48.6 p -105.9 108.97 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.6 123.34 24.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.7 -160.4 23.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.3 m -114.5 150.68 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 111.203 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.3 p -124.03 141.53 51.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.685 0.279 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.9 162.97 39.68 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.619 2.213 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.47 89.44 49.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.2 140.92 32.44 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.609 2.206 . . . . 0.0 112.405 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.487 ' C ' HD12 ' A' ' 126' ' ' LEU . 30.7 m -137.62 147.87 26.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.487 HD12 ' C ' ' A' ' 125' ' ' VAL . 4.3 mp -146.29 115.5 7.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 129' ' ' LEU . 82.7 mt -135.82 117.0 11.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.431 ' HG2' ' CE2' ' A' ' 143' ' ' TYR . 73.4 Cg_endo -75.11 148.55 35.02 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.459 2.106 . . . . 0.0 112.342 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 1.094 HD21 HG23 ' A' ' 109' ' ' THR . 0.3 OUTLIER -161.37 172.62 16.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.03 141.67 51.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m -94.63 122.33 37.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.563 HG22 ' HG ' ' A' ' 104' ' ' LEU . 21.6 t -144.91 132.89 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.4 ' HA2' ' CE1' ' A' ' 139' ' ' PHE . . . -178.64 -160.96 25.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.43 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.576 ' O ' HG12 ' A' ' 137' ' ' VAL . 63.1 t80 -161.66 111.87 1.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.69 -112.29 4.52 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.73 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -85.13 -19.38 3.83 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.774 2.316 . . . . 0.0 113.387 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 134' ' ' TYR . 14.8 p -90.32 114.79 28.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 111.348 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.14 118.36 25.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.427 ' CE2' ' HB ' ' A' ' 132' ' ' VAL . 55.1 p90 -128.15 133.07 48.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -126.44 143.28 51.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 5.3 mtt -112.66 135.4 53.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.3 t -120.59 139.46 52.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 128' ' ' PRO . 19.7 p90 -115.22 137.07 52.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.627 ' O ' HG23 ' A' ' 144' ' ' ILE . 2.3 tt -103.05 93.89 4.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--N 1.345 0.374 0 C-N-CA 122.551 2.167 . . . . 0.0 112.352 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.4 m120 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.1 t -129.68 146.16 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -115.9 146.53 41.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -131.98 124.72 29.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.521 ' HB3' ' H ' ' A' ' 31' ' ' ILE . . . -91.06 156.35 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -147.5 134.44 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.6 mtt -99.15 140.5 33.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -136.33 128.5 29.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.55 123.43 48.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -90.16 129.31 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.97 134.35 33.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -44.89 90.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.5 ttt -61.51 -32.25 72.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -60.84 -44.08 97.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.7 m -73.31 -32.9 64.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.546 ' O ' HG22 ' A' ' 14' ' ' ILE . 73.3 t80 -76.04 -31.51 58.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -63.54 -48.03 79.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.81 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -66.25 -54.7 21.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 10' ' ' PHE . 1.1 tp -60.19 -40.85 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -63.51 -32.93 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -71.13 -53.68 13.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -55.62 -27.8 51.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -30.6 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.29 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -140.08 168.03 20.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -81.75 109.53 16.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.47 134.59 34.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -119.68 112.07 18.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -99.22 124.78 44.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.423 HD12 ' HD2' ' A' ' 29' ' ' PRO . 3.3 tp -155.97 134.01 7.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.032 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HD2' HD12 ' A' ' 28' ' ' ILE . 56.5 Cg_endo -70.7 -179.04 3.02 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.428 2.085 . . . . 0.0 112.263 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.81 -62.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.99 133.99 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.218 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.7 t -156.05 154.28 30.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.403 ' HA3' ' CE1' ' A' ' 75' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.88 176.04 35.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.425 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.73 -165.84 26.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.594 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -147.28 174.08 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.08 -167.86 34.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -132.39 155.46 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.404 ' H ' HD23 ' A' ' 58' ' ' LEU . 2.0 t -123.55 148.64 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.95 142.62 36.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -107.77 167.95 9.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.045 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.62 139.63 51.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.745 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -52.82 -31.21 37.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -68.99 -18.65 64.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.95 46.92 0.92 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.04 161.04 23.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 111.11 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -137.97 105.38 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -131.61 140.1 49.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.998 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.33 -174.43 22.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.58 158.5 43.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.628 0.251 . . . . 0.0 110.788 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 46.0 p90 -157.09 118.75 3.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.31 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.74 117.57 30.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.548 ' HB2' HD11 ' A' ' 85' ' ' ILE . 3.5 mtm -111.91 134.4 53.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.69 139.61 49.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.403 ' CE1' ' HA3' ' A' ' 53' ' ' GLY . 1.2 m-85 -125.58 127.33 46.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -108.67 121.66 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -118.09 -170.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 m -60.16 -29.48 68.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -19.39 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 64.87 60.72 0.82 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.019 0.437 . . . . 0.0 110.766 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -162.08 103.01 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.731 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 30.6 p90 -57.57 128.34 36.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -103.37 98.93 13.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 114' ' ' ALA . 71.6 Cg_endo -77.25 145.49 24.25 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.52 2.147 . . . . 0.0 112.503 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 73' ' ' MET . 2.1 pp -152.74 119.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -99.09 117.85 34.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -105.21 135.78 12.77 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.141 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -104.33 109.93 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 111.05 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.707 ' HA2' HG22 ' A' ' 109' ' ' THR . . . -96.47 108.93 3.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -113.84 112.3 23.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.815 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -147.45 166.4 27.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.53 143.36 27.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.1 p -99.06 142.72 30.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -146.1 132.96 20.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -110.38 124.86 32.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.31 -171.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.383 2.055 . . . . 0.0 112.28 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.1 mt -99.5 -54.35 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.36 -41.72 55.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.85 162.56 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.22 -50.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -69.38 -31.61 70.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.01 99.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -91.83 135.06 34.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.9 tp -133.31 148.07 51.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.49 163.59 37.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.8 mt -147.48 127.9 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -166.91 -157.79 10.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -131.86 151.4 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.707 HG22 ' HA2' ' A' ' 89' ' ' GLY . 39.5 p -121.67 116.54 24.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -138.4 127.35 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -136.32 -153.9 6.68 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.626 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.87 147.46 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.855 0.359 . . . . 0.0 111.211 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.525 ' HA ' HG22 ' A' ' 85' ' ' ILE . 87.2 m -102.7 160.17 14.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.834 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.551 ' HB2' ' HG2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.497 0.189 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.09 145.58 67.62 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.414 2.076 . . . . 0.0 112.263 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 tp -102.11 94.45 4.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.56 143.24 56.26 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.436 2.091 . . . . 0.0 112.282 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 31.1 m -136.04 141.62 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 127' ' ' LEU . 2.4 tt -115.23 114.25 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.46 HD12 ' C ' ' A' ' 126' ' ' LEU . 5.1 mp -139.03 124.37 11.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 143' ' ' TYR . 15.2 Cg_exo -68.71 148.36 71.53 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.448 2.099 . . . . 0.0 112.061 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.693 HD12 ' OG1' ' A' ' 142' ' ' THR . 7.8 tt -154.31 152.67 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -117.89 157.39 26.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.8 p -116.29 114.88 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 132' ' ' VAL . 11.3 p -145.02 115.97 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.984 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.21 -170.96 12.43 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.649 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.456 ' O ' HG12 ' A' ' 137' ' ' VAL . 54.4 t80 -168.42 128.39 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.728 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 65.71 -135.72 35.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.279 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -87.35 23.95 0.77 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.782 2.322 . . . . 0.0 112.843 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 134' ' ' TYR . 9.0 p -138.92 139.76 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.99 145.01 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -127.4 134.35 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.547 ' HB3' HD11 ' A' ' 129' ' ' LEU . 65.4 mt-30 -126.48 132.93 51.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.41 130.03 55.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.693 ' OG1' HD12 ' A' ' 129' ' ' LEU . 1.5 m -109.56 115.26 29.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 128' ' ' PRO . 45.0 p90 -106.25 125.03 50.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.85 91.92 28.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.208 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--N 1.346 0.397 0 C-N-CA 122.529 2.153 . . . . 0.0 112.236 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 154' ' ' TYR . 10.9 p -108.63 158.44 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.958 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.478 ' N ' HG22 ' A' ' 153' ' ' VAL . 43.8 m-85 -130.1 146.47 51.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -125.55 133.66 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.29 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -142.02 117.43 10.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.96 127.89 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.09 111.27 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . 0.43 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.3 OUTLIER -109.19 147.03 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -113.05 137.54 51.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 160' ' ' PHE . 44.4 m-85 -128.55 174.89 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 9' ' ' THR . 68.6 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -79.03 -30.58 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -52.18 66.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 9' ' ' THR . 8.0 t -62.5 -47.51 83.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 5' ' ' GLU . 25.4 p -62.79 -31.54 72.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.63 -33.81 73.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -59.94 -41.17 91.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.81 -31.14 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -68.32 -34.96 77.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.0 mm -70.73 -50.93 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -37.44 87.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -67.18 -36.2 81.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -35.63 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -62.87 -47.83 81.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -100.15 161.44 13.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -126.08 121.33 32.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -115.06 165.92 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tp -130.24 116.82 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -94.75 134.4 37.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 158' ' ' MET . 8.3 tt -154.75 136.08 9.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.456 ' HD3' ' HE1' ' A' ' 73' ' ' MET . 18.7 Cg_endo -60.1 125.31 17.24 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.462 2.108 . . . . 0.0 112.228 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 158' ' ' MET . . . -93.31 -77.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.5 tt -156.25 158.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 m -136.75 138.02 40.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.94 145.27 10.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -146.13 173.23 26.5 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.682 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.412 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 11.1 m-85 -126.48 171.33 11.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 0.0 110.711 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -140.42 134.56 6.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.586 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 mt -122.03 123.01 40.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.9 t -132.21 157.88 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.422 HH22 HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -151.57 163.16 39.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.72 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.421 ' HB3' ' CZ3' ' A' ' 67' ' ' TRP . 19.7 p90 -115.64 154.7 29.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -119.89 147.01 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.89 -22.87 10.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.507 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -92.66 35.04 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.18 44.38 88.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.615 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.64 147.41 31.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.421 ' CZ3' ' HB3' ' A' ' 61' ' ' TRP . 15.4 t-105 -129.98 95.94 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -74.52 146.92 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.749 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.52 118.32 1.4 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.711 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.422 HD22 HH22 ' A' ' 60' ' ' ARG . 4.3 mp -114.55 146.05 41.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.558 0.218 . . . . 0.0 110.466 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -113.48 155.91 24.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.977 0.418 . . . . 0.0 111.165 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -156.32 133.04 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.595 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.456 ' HE1' ' HD3' ' A' ' 29' ' ' PRO . 10.2 mtt -161.1 166.93 27.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 0.0 111.267 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.16 132.82 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -125.68 171.79 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.01 140.61 50.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.33 -173.47 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -35.0 64.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -101.33 -66.02 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -175.55 103.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -168.15 112.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -94.37 123.41 37.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -112.53 98.83 45.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.63 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 87.6 Cg_endo -81.74 159.98 18.95 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.663 2.242 . . . . 0.0 112.51 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.9 mt -139.61 147.67 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.85 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.866 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . . . -138.21 156.99 47.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.086 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -138.05 144.97 16.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.331 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -152.17 109.93 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.832 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.03 169.89 41.14 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.539 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -115.09 154.81 28.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -157.16 163.33 39.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.7 m -115.88 116.25 27.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.86 119.5 33.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.13 148.96 52.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -116.45 132.4 23.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.15 174.63 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.428 2.085 . . . . 0.0 112.337 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mp -94.86 -41.47 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.03 -43.63 43.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -81.79 172.41 13.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.87 -63.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -68.04 -32.65 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -62.13 123.17 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.74 146.43 50.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.13 144.82 40.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.563 ' O ' ' HB1' ' A' ' 130' ' ' ALA . . . -148.78 135.12 5.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.2 tt -126.77 141.58 51.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.59 -159.79 24.6 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -122.05 131.37 53.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.9 p -122.06 134.69 54.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.3 113.92 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.817 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -101.57 140.28 14.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.516 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.866 ' CG2' ' HB3' ' A' ' 86' ' ' ALA . 28.4 m -115.38 125.9 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -99.95 111.89 24.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.63 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.208 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.8 pt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.685 0.279 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.57 118.14 3.15 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.809 2.34 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -99.95 108.44 51.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.562 ' CA ' HG12 ' A' ' 112' ' ' VAL . 27.3 Cg_exo -62.25 156.31 51.58 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.545 2.163 . . . . 0.0 112.246 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 111' ' ' GLY . 28.8 m -150.04 115.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 126' ' ' LEU . 0.3 OUTLIER -82.3 117.95 22.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 128' ' ' PRO . 5.0 mt -147.93 146.56 24.16 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 14.8 Cg_exo -68.86 136.51 35.63 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.609 2.206 . . . . 0.0 112.08 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 130' ' ' ALA . 4.4 tt -150.1 152.78 35.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.633 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -140.86 161.58 37.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.91 117.2 23.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 31.3 m -134.51 137.8 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.55 -155.48 15.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -171.03 140.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.775 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.05 -135.37 51.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.331 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -86.31 37.12 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.727 2.285 . . . . 0.0 112.79 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.13 121.79 10.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.786 0.327 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.402 HG21 ' HD3' ' A' ' 159' ' ' ARG . 56.3 m -125.03 130.38 52.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.458 ' HE2' ' HB1' ' A' ' 156' ' ' ALA . 0.3 OUTLIER -119.71 143.3 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.465 ' HB3' HD21 ' A' ' 129' ' ' LEU . 10.6 mt-30 -115.12 145.45 42.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 16.3 mtm -131.74 130.01 41.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.2 m -120.97 151.09 40.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.48 141.32 51.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 30.2 mm -112.29 91.93 17.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.642 2.228 . . . . 0.0 112.372 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 20.4 t -108.43 139.39 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.72 147.01 31.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.26 128.07 43.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.458 ' HB1' ' HE2' ' A' ' 139' ' ' PHE . . . -104.81 122.57 46.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.402 ' CH2' ' HB3' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -118.68 161.26 20.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . 0.502 ' HB3' HG23 ' A' ' 28' ' ' ILE . 3.2 ttp -116.33 144.3 44.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.402 ' HD3' HG21 ' A' ' 138' ' ' THR . 49.6 ttt180 -150.23 123.13 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -111.34 145.01 39.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.32 116.94 33.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -128.1 159.66 34.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.787 0.327 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.89 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.1 -42.35 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t -56.49 -28.39 59.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.8 m -58.31 -33.48 69.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -76.08 -31.52 58.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -59.37 -37.63 78.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.19 -31.3 71.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.86 -56.96 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.5 pt -59.55 -33.6 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.77 -31.69 63.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.78 -59.25 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.5 p -59.82 -30.88 69.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -60.11 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.8 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -115.47 144.82 43.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.65 104.18 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.39 126.09 35.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 160' ' ' PHE . 4.9 mp -108.32 149.81 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 12.9 m-85 -133.43 130.67 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 pt -138.21 153.55 73.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.96 156.56 62.54 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.587 2.191 . . . . 0.0 112.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.69 -69.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.713 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 8.1 tp -146.32 141.92 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.0 p -141.26 153.36 45.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.624 -0.191 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.9 169.42 15.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.56 -153.11 9.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 12.7 p90 -134.92 168.63 18.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.32 175.01 37.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -119.01 146.06 45.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.76 175.06 6.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -158.68 165.15 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.466 ' CD1' ' CE2' ' A' ' 67' ' ' TRP . 12.9 m0 -129.21 127.97 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.48 146.83 24.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.06 -23.74 8.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.48 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.77 34.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.723 0.297 . . . . 0.0 111.09 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.96 45.8 85.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.575 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.52 151.41 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.466 ' CE2' ' CD1' ' A' ' 61' ' ' TRP . 5.2 m95 -129.25 101.55 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.88 162.34 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' HA2' ' CE1' ' A' ' 88' ' ' TYR . . . 169.06 171.88 35.24 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.627 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.841 HD22 ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -91.98 166.08 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 87' ' ' GLY . 18.9 p90 -148.93 121.22 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -103.68 121.57 43.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.145 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.401 ' O ' HD12 ' A' ' 85' ' ' ILE . 23.9 ttp -133.87 126.42 30.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.92 140.02 31.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -121.32 117.39 26.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -83.11 139.66 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -112.28 -177.23 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -74.94 -33.13 61.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -163.05 34.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -130.05 23.86 5.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.46 -169.01 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.078 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -90.94 155.01 19.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -136.63 98.92 10.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.79 154.76 54.0 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.504 2.136 . . . . 0.0 112.296 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.656 ' CG2' HG22 ' A' ' 113' ' ' THR . 4.4 mp -142.75 119.99 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.841 ' HB1' HD22 ' A' ' 70' ' ' LEU . . . -109.97 117.98 35.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.636 ' N ' HD23 ' A' ' 70' ' ' LEU . . . -135.79 139.97 11.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.293 -0.956 . . . . 0.0 113.008 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.413 ' CE1' ' HA2' ' A' ' 69' ' ' GLY . 2.6 t80 -96.38 125.81 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.47 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.62 152.13 19.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.731 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -106.15 139.42 40.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -150.11 131.79 14.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.981 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.7 t -96.49 126.92 42.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.1 p -79.8 143.58 34.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -145.99 124.28 12.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -101.38 128.74 28.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.799 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.81 -174.49 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.433 2.088 . . . . 0.0 112.36 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mt -110.66 -32.37 6.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.17 70.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.78 179.13 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -131.08 -55.62 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -60.89 -31.15 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.27 121.16 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.34 130.97 54.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.54 145.09 44.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.72 148.44 17.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 130' ' ' ALA . 6.8 tp -149.72 152.55 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.87 -162.94 35.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.552 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -112.43 170.99 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.476 HG21 HD13 ' A' ' 129' ' ' LEU . 70.2 p -146.72 115.63 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.81 148.02 52.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.412 ' HA3' ' CA ' ' A' ' 87' ' ' GLY . . . -176.16 -157.49 17.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.738 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 124' ' ' PRO . 26.8 m -141.34 153.64 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.656 HG22 ' CG2' ' A' ' 85' ' ' ILE . 10.8 p -105.12 157.22 17.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.592 0.234 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.93 158.5 24.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.507 2.138 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.98 99.68 24.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.534 ' HA ' HG12 ' A' ' 112' ' ' VAL . 36.3 Cg_endo -65.58 133.99 36.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.405 2.07 . . . . 0.0 112.474 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -149.97 146.16 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.28 125.82 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.03 160.02 34.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.82 153.0 73.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.749 2.3 . . . . 0.0 112.174 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.542 HD23 ' N ' ' A' ' 130' ' ' ALA . 7.7 tt -161.6 153.46 19.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.542 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -137.21 175.35 9.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.4 t -150.23 118.22 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.668 HG22 ' CE ' ' A' ' 141' ' ' MET . 15.0 m -141.98 125.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -163.3 -152.24 6.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 134' ' ' TYR . 30.0 p90 -171.06 135.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 64.0 -135.72 40.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.409 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -87.3 28.9 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.816 2.344 . . . . 0.0 113.024 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.98 106.29 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.7 m -109.13 130.06 55.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -107.04 113.96 27.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -106.79 136.62 46.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . 0.668 ' CE ' HG22 ' A' ' 132' ' ' VAL . 4.1 ptp -122.38 129.99 52.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.547 HG23 ' HB2' ' A' ' 155' ' ' PHE . 5.2 t -108.18 139.16 43.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -109.65 120.6 43.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.636 HD12 HG13 ' A' ' 153' ' ' VAL . 27.9 mt -102.31 107.66 54.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 C--N 1.346 0.41 0 C-N-CA 122.341 2.027 . . . . 0.0 112.328 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.1 t30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.717 0.294 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.636 HG13 HD12 ' A' ' 144' ' ' ILE . 10.9 p -110.25 143.95 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' A' ' 154' ' ' TYR . 3.5 m-85 -108.43 146.98 32.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.547 ' HB2' HG23 ' A' ' 142' ' ' THR . 1.5 m-85 -136.74 127.71 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -97.66 151.17 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -155.09 139.77 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -96.84 140.8 30.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -132.24 134.66 45.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 26' ' ' LEU . 2.3 p90 -144.97 128.08 16.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -89.95 134.36 34.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.83 115.25 17.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.874 0.369 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -31.7 69.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 88.5 mtp -64.36 -46.36 83.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.0 p -60.58 -48.7 80.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.7 p -60.26 -35.16 74.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.71 -31.51 71.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -63.5 -40.94 98.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -34.56 75.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.22 -49.19 72.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.463 ' HA ' HG22 ' A' ' 17' ' ' THR . 8.7 tp -69.48 -31.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.55 -34.15 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -74.47 -44.18 52.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.463 HG22 ' HA ' ' A' ' 14' ' ' ILE . 9.7 t -65.17 -34.0 77.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.412 ' CE1' HD22 ' A' ' 163' ' ' LEU . 98.7 m-70 -144.68 172.79 12.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.41 120.56 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -104.38 140.35 38.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 56' ' ' PHE . 5.2 mt -135.78 112.41 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.04 125.91 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.2 mt -138.22 135.86 18.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.76 106.93 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.447 2.098 . . . . 0.0 112.241 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 31' ' ' ILE . . . -82.64 -69.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 30' ' ' ALA . 2.6 pt -157.67 164.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 p -139.01 174.55 10.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.99 149.33 20.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.522 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -107.95 139.75 15.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CE2' HD21 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -152.04 127.71 10.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.36 -163.02 17.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.526 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mt -132.68 169.82 16.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 p -142.18 157.67 44.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.11 175.59 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -144.09 138.17 28.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -95.25 147.48 23.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.7 -21.32 17.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.455 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -91.65 35.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 111.226 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.43 51.58 55.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.625 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.02 155.39 35.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -128.23 106.83 9.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -127.82 133.59 49.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.58 177.06 43.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.987 HD21 ' HB1' ' A' ' 86' ' ' ALA . 7.1 tt -125.74 162.79 24.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.649 0.262 . . . . 0.0 110.768 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.794 ' N ' HD23 ' A' ' 70' ' ' LEU . 54.2 p90 -144.12 118.87 9.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.857 0.36 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.82 117.45 30.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.95 122.3 47.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.5 130.32 45.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.46 124.83 43.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -82.97 134.59 35.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.68 -176.64 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.5 p -86.81 -13.07 46.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.363 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.06 26.51 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.641 0.257 . . . . 0.0 111.166 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 54.94 42.42 31.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -130.53 155.72 46.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -115.28 131.24 56.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.93 98.8 22.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.36 156.54 29.09 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.551 2.167 . . . . 0.0 112.296 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.734 HD12 HG22 ' A' ' 113' ' ' THR . 11.2 tt -151.34 119.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.197 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.987 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -112.52 117.85 33.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.712 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -118.94 138.36 13.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.556 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.473 ' CE1' HD12 ' A' ' 70' ' ' LEU . 47.2 m-85 -89.3 118.69 29.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.775 0.322 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.554 ' HA2' HG22 ' A' ' 109' ' ' THR . . . -98.09 122.11 7.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -126.96 111.94 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.794 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.436 ' OE1' HD11 ' A' ' 129' ' ' LEU . 8.2 mt-10 -145.19 168.05 21.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.0 p -119.46 107.63 13.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.814 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 t -76.82 141.42 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -134.44 122.61 22.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -96.89 109.29 48.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.16 -175.45 0.82 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.364 2.043 . . . . 0.0 112.324 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.84 -32.18 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.88 89.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.21 147.68 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.22 -45.67 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -65.03 -31.92 73.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.45 119.04 20.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -115.62 126.48 54.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 104' ' ' LEU . 10.1 tt -119.44 121.09 38.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -133.13 176.28 19.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.426 ' N ' HD23 ' A' ' 106' ' ' LEU . 0.4 OUTLIER -151.29 147.82 27.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.818 0.342 . . . . 0.0 110.98 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.25 -148.16 11.85 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -146.93 166.21 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.554 HG22 ' HA2' ' A' ' 89' ' ' GLY . 18.1 p -147.41 118.13 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.677 ' HB2' ' CD2' ' A' ' 126' ' ' LEU . . . -96.36 118.56 33.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -93.54 134.3 12.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.616 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.45 HG22 ' HB3' ' A' ' 124' ' ' PRO . 28.0 t -111.86 115.09 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.734 HG22 HD12 ' A' ' 85' ' ' ILE . 24.9 p -98.87 140.31 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.596 0.236 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.02 162.98 10.36 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.48 2.12 . . . . 0.0 112.266 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.18 87.0 56.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.45 ' HB3' HG22 ' A' ' 112' ' ' VAL . 67.1 Cg_endo -74.13 152.0 44.87 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.616 2.211 . . . . 0.0 112.383 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 125' ' ' VAL . 28.0 m -150.06 116.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.677 ' CD2' ' HB2' ' A' ' 110' ' ' ALA . 9.8 mt -82.03 128.95 34.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.506 HD13 ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -136.07 116.89 11.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.765 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.506 ' HD2' HD13 ' A' ' 127' ' ' LEU . 15.0 Cg_exo -68.65 138.95 42.94 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.527 2.151 . . . . 0.0 112.111 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.78 ' HB3' HG23 ' A' ' 142' ' ' THR . 4.4 pp -166.89 163.14 16.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -109.26 169.49 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.017 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.03 135.35 48.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 133' ' ' GLY . 21.5 t -133.84 158.86 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.48 ' N ' HG12 ' A' ' 132' ' ' VAL . . . -150.9 151.06 23.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.72 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.521 ' CZ ' HG13 ' A' ' 137' ' ' VAL . 2.1 p90 -160.7 111.93 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.395 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 65.96 -136.14 35.3 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.92 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -88.74 23.96 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.779 2.32 . . . . 0.0 112.779 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.521 HG13 ' CZ ' ' A' ' 134' ' ' TYR . 10.4 p -142.13 150.08 19.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.843 0.354 . . . . 0.0 111.405 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.5 p -125.01 145.05 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.765 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.81 125.24 37.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.959 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.407 ' HB2' ' CD1' ' A' ' 157' ' ' TRP . 3.7 mp0 -114.29 140.65 48.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.74 131.75 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 129' ' ' LEU . 5.1 m -111.01 146.99 35.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 143' ' ' TYR . 5.0 p90 -139.22 106.51 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 144' ' ' ILE . 8.3 tt -95.54 124.1 54.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.446 2.097 . . . . 0.0 112.243 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.5 t -114.15 138.26 44.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -121.39 141.59 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -142.24 134.34 27.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -129.46 148.22 51.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.407 ' CD1' ' HB2' ' A' ' 140' ' ' GLN . 1.5 p90 -145.85 163.74 34.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.767 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 8.6 ttm -108.89 148.55 30.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.45 128.09 30.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.54 137.34 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -117.09 107.91 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.88 136.73 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 23' ' ' HIS . 11.5 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -78.93 -34.44 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 ttm -68.1 -31.85 71.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -57.95 4.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -60.79 -32.51 71.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -75.18 -44.38 46.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -66.8 -31.47 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -69.5 -34.26 74.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.38 -55.08 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.964 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 15' ' ' ALA . 2.6 pp -59.29 -37.62 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' N ' HD12 ' A' ' 14' ' ' ILE . . . -70.14 -30.1 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.632 HE22 HD13 ' A' ' 163' ' ' LEU . 45.3 mt-30 -77.2 -46.98 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 18' ' ' TRP . 5.8 t -60.36 -48.17 82.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.426 ' N ' HG23 ' A' ' 17' ' ' THR . 16.4 m95 -62.8 -49.83 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -120.86 177.18 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.25 117.63 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -111.68 139.45 47.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 162' ' ' PHE . 2.1 mp -101.77 140.51 35.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.744 ' O ' HD13 ' A' ' 28' ' ' ILE . 11.1 m-85 -123.25 115.96 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.744 HD13 ' O ' ' A' ' 27' ' ' TYR . 26.0 mm -141.69 135.92 15.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.67 159.31 51.32 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.497 2.132 . . . . 0.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.69 -50.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -141.11 156.34 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -154.77 142.51 19.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.473 ' O ' HG23 ' A' ' 153' ' ' VAL . 3.0 m-90 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.99 -167.09 33.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.86 -144.9 10.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.541 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -124.9 174.04 8.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.98 160.5 32.54 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.16 160.56 18.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -159.52 163.1 35.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.988 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.8 mtm-85 -137.34 151.82 49.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -99.98 116.93 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -77.15 140.09 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.77 -22.56 5.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.47 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -90.7 30.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 111.061 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.15 48.99 75.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.572 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.417 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 5.0 m120 -121.29 153.12 38.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -123.57 110.49 15.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -134.03 137.31 44.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.69 159.2 31.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.834 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.998 HD21 ' HB1' ' A' ' 86' ' ' ALA . 12.7 tp -89.63 159.37 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.693 0.282 . . . . 0.0 110.75 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 71.9 m-85 -126.25 118.78 25.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.666 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.8 110.0 21.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.589 ' O ' HG22 ' A' ' 85' ' ' ILE . 2.2 ptt? -138.98 151.31 46.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -122.62 144.74 48.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -103.93 113.08 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.688 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 123.33 29.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.41 152.89 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.88 -25.25 63.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -139.34 -42.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -165.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -110.99 -177.85 3.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -74.15 139.04 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -109.58 98.87 34.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.774 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.74 146.26 53.66 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.556 2.171 . . . . 0.0 112.409 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 73' ' ' MET . 11.3 tt -150.39 136.38 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.998 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -130.9 117.96 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.751 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.684 ' C ' HD12 ' A' ' 70' ' ' LEU . . . -138.58 135.92 7.72 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.953 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.583 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -89.44 125.3 35.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.775 179.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' HA3' HG22 ' A' ' 109' ' ' THR . . . -109.51 146.38 16.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 24.0 t90 -121.34 111.98 18.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.318 . . . . 0.0 110.718 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.96 147.84 52.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -95.49 132.87 40.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 m -91.39 131.87 36.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -146.05 147.58 31.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -124.01 143.18 41.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.47 -176.14 2.6 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.478 2.119 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.25 -31.21 10.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.92 -30.32 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -127.65 152.13 48.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -109.26 -31.18 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.446 ' HB2' ' CE2' ' A' ' 134' ' ' TYR . 4.3 m-80 -83.0 -26.16 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 133' ' ' GLY . 2.5 t80 -56.21 116.53 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -92.52 136.34 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.824 HD23 HG12 ' A' ' 132' ' ' VAL . 1.3 mt -142.77 148.47 37.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.65 165.12 34.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.65 152.12 28.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.19 -164.59 37.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -116.05 170.76 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.792 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.431 HG22 ' HA3' ' A' ' 89' ' ' GLY . 22.9 p -146.29 112.73 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.001 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.763 ' HB2' ' CD1' ' A' ' 126' ' ' LEU . . . -111.21 132.24 54.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.408 ' HA2' ' HA2' ' A' ' 87' ' ' GLY . . . -146.44 171.45 27.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.84 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.85 124.51 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 85' ' ' ILE . 1.8 t -103.79 133.99 47.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.582 ' HB2' ' CA ' ' A' ' 122' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.291 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.424 ' CG2' ' HD2' ' A' ' 122' ' ' PRO . 3.7 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.583 0.23 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.582 ' CA ' ' HB2' ' A' ' 114' ' ' ALA . 87.1 Cg_exo -47.35 107.18 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.63 2.22 . . . . 0.0 112.675 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.598 HD23 ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -105.56 129.94 23.87 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.629 179.717 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.598 ' HD2' HD23 ' A' ' 123' ' ' LEU . 56.5 Cg_endo -70.41 146.0 54.94 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.496 2.131 . . . . 0.0 112.535 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 125' ' ' VAL . 13.6 p -150.0 116.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.993 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.763 ' CD1' ' HB2' ' A' ' 110' ' ' ALA . 5.1 tp -111.06 134.42 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.05 146.56 20.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.21 128.92 14.36 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.59 2.193 . . . . 0.0 112.282 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.611 HD21 ' CG ' ' A' ' 140' ' ' GLN . 1.1 tt -133.8 151.38 51.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.971 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.554 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -136.97 159.3 42.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m -132.29 114.25 14.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.824 HG12 HD23 ' A' ' 104' ' ' LEU . 31.0 m -144.99 125.05 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.405 ' O ' ' CD1' ' A' ' 102' ' ' PHE . . . -168.94 -142.18 3.44 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.46 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.446 ' CE2' ' HB2' ' A' ' 101' ' ' ASN . 13.3 t80 -166.05 128.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.764 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.36 -132.18 30.1 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.543 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -85.1 14.03 2.6 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.703 2.269 . . . . 0.0 113.215 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.5 m -126.43 116.49 45.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.814 0.34 . . . . 0.0 111.242 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.98 119.81 29.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -79.76 143.73 34.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.611 ' CG ' HD21 ' A' ' 129' ' ' LEU . 5.1 tt0 -106.6 135.59 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.9 130.12 50.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.1 m -127.38 140.28 52.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 143' ' ' TYR . 3.0 m-85 -115.92 113.32 23.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.8 mt -113.44 92.26 22.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo . . . . . 0 C--N 1.344 0.335 0 C-N-CA 122.543 2.162 . . . . 0.0 112.312 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 33' ' ' TRP . 12.2 p -109.49 134.82 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -114.27 137.55 51.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -114.95 143.97 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.543 ' HB3' HG12 ' A' ' 31' ' ' ILE . . . -122.34 123.18 40.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -118.46 167.11 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.3 mtp -105.3 138.56 41.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.424 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 1.8 ttp180 -122.95 116.46 23.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . 0.485 ' HB3' HD13 ' A' ' 26' ' ' LEU . 2.2 m-85 -109.01 146.97 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . 0.431 ' NE2' HD23 ' A' ' 163' ' ' LEU . 3.5 tt0 -100.39 117.35 34.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.693 ' HB2' HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -122.55 140.78 52.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.632 HD13 HE22 ' A' ' 16' ' ' GLN . 1.1 pp . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -29.97 44.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -58.61 -33.15 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m -80.01 -31.09 39.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 m -75.42 -33.75 60.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.97 -35.29 59.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -64.63 -31.84 73.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.32 -32.33 70.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.44 -56.99 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.485 HG23 ' N ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -58.87 -44.28 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.485 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -63.97 -28.23 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -70.16 -46.56 64.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -73.79 -30.92 63.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -30.15 45.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.887 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.846 0.355 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -139.49 176.19 8.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -106.51 98.0 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.68 162.49 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.81 129.45 36.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.447 ' O ' HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -97.67 120.06 37.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 27' ' ' TYR . 26.3 mm -128.93 138.98 34.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -52.08 150.33 19.14 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.53 2.154 . . . . 0.0 112.297 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 31' ' ' ILE . . . -120.78 -75.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.71 HG13 ' HB3' ' A' ' 156' ' ' ALA . 2.0 pt -154.85 123.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.7 p -111.59 143.96 41.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.59 159.71 11.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.12 -175.81 21.86 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.607 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -132.69 174.11 10.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.301 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.81 132.95 4.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.614 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -108.63 123.05 48.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -85.33 155.67 21.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -154.77 155.41 34.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.778 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.5 m-90 -113.14 136.61 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.79 136.9 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -52.86 -24.42 9.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.394 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -94.3 34.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.48 44.66 85.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.446 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.97 161.07 19.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.137 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.48 112.94 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.732 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.97 163.11 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.72 159.88 26.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.684 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.77 HD21 ' HB1' ' A' ' 86' ' ' ALA . 7.4 tt -99.27 166.0 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.608 0.242 . . . . 0.0 110.709 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.751 ' N ' HD23 ' A' ' 70' ' ' LEU . 18.4 p90 -148.89 118.93 7.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 110.979 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -97.15 110.02 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.4 ttm -110.92 121.92 46.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.85 130.02 56.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.96 126.29 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -94.51 145.18 24.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -111.15 170.51 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -59.71 -30.46 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -166.64 41.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -134.0 26.01 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 56.62 -165.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 12.8 p-90 -101.92 144.16 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.788 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.82 102.64 54.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -79.7 153.88 23.3 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.566 2.178 . . . . 0.0 112.214 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.442 HG12 HG23 ' A' ' 113' ' ' THR . 25.1 mt -149.56 119.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.77 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -116.99 117.82 30.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.428 ' O ' ' CE2' ' A' ' 71' ' ' TYR . . . -134.85 144.61 16.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.785 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.695 ' CE2' HD12 ' A' ' 70' ' ' LEU . 75.9 m-85 -95.52 124.65 39.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.761 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.54 129.7 9.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.8 m-90 -107.67 112.06 24.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.81 0.338 . . . . 0.0 110.737 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -132.49 153.47 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.002 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.73 120.81 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.5 p -90.09 137.8 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.956 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -145.99 123.12 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.26 132.2 25.98 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.33 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.456 2.104 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.3 -28.9 11.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.87 -44.87 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.9 165.58 32.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -96.11 -36.5 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -60.0 -30.83 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.07 91.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -92.24 120.23 32.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.75 117.31 32.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -128.35 138.51 10.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.435 HD23 ' HB2' ' A' ' 130' ' ' ALA . 3.6 mt -146.0 140.46 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.3 -153.82 22.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.589 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 108' ' ' PHE . 7.1 m-85 -129.47 171.05 12.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.805 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.758 HG21 HD21 ' A' ' 129' ' ' LEU . 36.9 p -145.76 142.96 29.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.921 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -142.25 135.81 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -144.73 174.8 24.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.633 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.426 HG21 ' CB ' ' A' ' 122' ' ' PRO . 11.7 p -127.99 139.55 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.442 HG23 HG12 ' A' ' 85' ' ' ILE . 47.1 m -103.71 142.48 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.56 HD13 ' C ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.511 0.196 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.52 ' N ' HD13 ' A' ' 121' ' ' ILE . 59.1 Cg_endo -71.86 120.13 6.66 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.395 2.063 . . . . 0.0 112.365 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.3 mt -103.39 92.13 3.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.93 154.27 71.17 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.47 2.113 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.19 152.03 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.921 HD22 ' HB2' ' A' ' 110' ' ' ALA . 0.3 OUTLIER -140.98 120.96 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.541 ' N ' HD13 ' A' ' 126' ' ' LEU . 3.8 pp -149.97 136.35 10.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.18 153.05 36.02 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.51 2.14 . . . . 0.0 112.305 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.758 HD21 HG21 ' A' ' 109' ' ' THR . 4.2 pp -168.17 162.31 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.072 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.435 ' HB2' HD23 ' A' ' 106' ' ' LEU . . . -125.57 158.68 33.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.0 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.5 t -128.46 143.81 51.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.01 116.06 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.09 149.36 18.39 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.625 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.41 ' O ' HG12 ' A' ' 137' ' ' VAL . 29.4 t80 -154.67 111.96 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.5 -133.42 51.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.066 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -88.23 24.36 0.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.75 2.3 . . . . 0.0 112.884 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 134' ' ' TYR . 11.5 p -142.09 140.95 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.871 0.367 . . . . 0.0 111.22 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 80.2 m -125.13 128.29 48.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.74 144.0 37.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.448 HE22 HG22 ' A' ' 142' ' ' THR . 0.0 OUTLIER -138.58 123.8 19.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 1.1 tpp -108.85 142.86 38.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.448 HG22 HE22 ' A' ' 140' ' ' GLN . 16.4 p -123.02 151.99 41.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . 0.415 ' CE1' ' HB3' ' A' ' 154' ' ' TYR . 3.2 m-85 -136.56 121.82 19.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.526 HD12 ' HD2' ' A' ' 145' ' ' PRO . 6.6 tp -106.26 129.9 23.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' A' ' 144' ' ' ILE . 51.4 Cg_exo . . . . . 0 C--N 1.346 0.435 0 C-N-CA 122.444 2.096 . . . . 0.0 112.303 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.4 t30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.405 HG23 ' CG2' ' A' ' 144' ' ' ILE . 6.0 m -147.44 146.48 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.415 ' HB3' ' CE1' ' A' ' 143' ' ' TYR . 7.0 p90 -132.39 142.99 49.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -112.68 134.56 54.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.71 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -98.84 155.46 17.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -154.07 141.88 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 12.7 mtp -92.17 154.2 18.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -139.58 120.11 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -113.44 139.26 49.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -102.54 115.58 30.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -115.4 130.19 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -42.94 99.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 mtt -63.03 -44.3 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -64.0 -31.66 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.0 m -68.69 -31.38 70.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CE2' HD11 ' A' ' 14' ' ' ILE . 36.0 t80 -72.76 -36.09 67.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -59.55 -31.18 69.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.96 -30.72 69.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -74.91 -36.38 62.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.414 HD11 ' CE2' ' A' ' 10' ' ' PHE . 34.6 mm -68.36 -50.54 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.18 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -30.56 70.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -45.43 70.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 t -74.2 -31.54 62.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -68.06 -35.4 78.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -140.73 149.91 42.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.37 116.14 31.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.71 119.43 39.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.79 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.9 143.22 26.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -138.78 122.41 17.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.643 HD13 ' N ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -155.82 152.94 25.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.83 158.21 58.33 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.329 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.93 -76.06 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 2.9 pp -153.54 159.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.616 HG22 ' HA ' ' A' ' 155' ' ' PHE . 15.8 p -142.53 117.11 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 54.3 m95 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.05 150.43 22.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.468 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -113.55 135.95 12.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.578 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.724 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 12.4 m-85 -152.13 119.08 5.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.284 . . . . 0.0 110.603 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.41 178.09 16.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.703 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 59' ' ' SER . 0.9 OUTLIER -117.1 141.59 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.798 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -90.26 153.79 20.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.99 100.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.718 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -99.84 164.03 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -110.58 152.62 26.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.786 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -55.9 -20.72 16.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.544 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -90.37 35.04 0.87 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.686 0.279 . . . . 0.0 111.269 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.62 53.54 40.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.629 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -121.62 145.86 47.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -118.74 113.42 21.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -134.02 156.03 48.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.07 169.01 40.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.608 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.606 HD11 ' CE2' ' A' ' 88' ' ' TYR . 2.7 mp -104.11 166.06 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.666 0.27 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -129.4 118.82 22.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -108.66 109.83 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.758 ' HB3' HD12 ' A' ' 85' ' ' ILE . 1.3 ttp -118.08 144.23 45.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.06 129.94 38.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.92 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.06 112.98 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -99.84 111.56 23.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -69.86 -177.07 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -86.39 -20.34 28.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.207 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.95 30.09 0.31 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 0.0 110.733 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.77 -163.66 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.671 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -98.51 176.84 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 27.8 p90 -82.07 151.25 27.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -114.93 98.98 51.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.35 150.42 36.67 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.555 2.17 . . . . 0.0 112.322 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.758 HD12 ' HB3' ' A' ' 73' ' ' MET . 32.2 mt -143.97 139.24 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.621 ' O ' HG22 ' A' ' 112' ' ' VAL . . . -138.3 117.8 12.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.674 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.401 ' HA2' ' HA2' ' A' ' 111' ' ' GLY . . . -130.95 -170.44 12.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.627 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.606 ' CE2' HD11 ' A' ' 70' ' ' LEU . 56.6 m-85 -145.48 121.81 10.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.788 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.15 148.08 16.38 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.438 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -145.76 121.36 10.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -149.53 167.82 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 m -121.42 105.86 10.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.8 p -107.21 127.44 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -129.54 161.7 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 155.14 48.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.34 175.52 7.65 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.59 2.193 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.04 -30.78 69.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.54 -31.07 69.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.98 96.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -150.24 -178.17 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -60.53 -33.04 72.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.51 127.12 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -143.85 144.23 31.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.611 ' HG ' HG22 ' A' ' 132' ' ' VAL . 0.6 OUTLIER -133.89 140.32 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -156.89 174.2 34.54 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.56 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.771 HD23 ' HB2' ' A' ' 130' ' ' ALA . 12.1 mt -144.96 138.47 26.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -163.42 -158.75 10.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.579 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -133.09 123.5 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.412 ' HB ' HD13 ' A' ' 129' ' ' LEU . 79.2 m -97.73 109.19 21.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.72 164.24 14.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.401 ' HA2' ' HA2' ' A' ' 87' ' ' GLY . . . -178.79 166.74 36.65 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.647 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.772 HG12 ' HA ' ' A' ' 124' ' ' PRO . 27.2 m -119.8 165.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.91 148.42 44.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.675 0.274 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.33 162.99 40.6 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.575 2.183 . . . . 0.0 112.347 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.0 tp -102.09 96.83 7.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.772 ' HA ' HG12 ' A' ' 112' ' ' VAL . 54.7 Cg_endo -69.81 147.03 61.68 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.524 2.149 . . . . 0.0 112.394 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.01 125.99 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.16 137.86 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.657 HD12 HG23 ' A' ' 142' ' ' THR . 0.1 OUTLIER -149.97 116.91 3.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.604 ' HD2' HD13 ' A' ' 127' ' ' LEU . 15.0 Cg_exo -68.6 128.48 17.17 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.532 2.155 . . . . 0.0 112.124 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.537 HD11 HG23 ' A' ' 142' ' ' THR . 2.9 mp -142.44 162.03 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.771 ' HB2' HD23 ' A' ' 106' ' ' LEU . . . -131.23 161.32 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 m -118.57 119.77 35.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.611 HG22 ' HG ' ' A' ' 104' ' ' LEU . 21.7 t -145.02 115.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -172.17 -149.6 6.77 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.432 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.468 ' O ' HG22 ' A' ' 137' ' ' VAL . 53.6 p90 -169.67 120.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.765 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.55 -132.35 29.68 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.706 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.73 -4.67 15.16 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.866 2.377 . . . . 0.0 113.516 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 134' ' ' TYR . 5.2 m -109.04 119.58 58.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.4 m -125.09 108.92 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -101.48 114.47 28.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.811 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -109.6 145.97 35.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.37 148.67 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.696 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.657 HG23 HD12 ' A' ' 127' ' ' LEU . 61.0 m -123.36 152.02 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.7 122.53 33.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.615 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.636 ' N ' HD12 ' A' ' 144' ' ' ILE . 3.3 mp -108.48 91.87 9.12 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.17 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 C--N 1.345 0.359 0 C-N-CA 122.554 2.169 . . . . 0.0 112.221 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.628 HG23 HD13 ' A' ' 144' ' ' ILE . 13.9 m -123.21 152.97 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -123.63 125.23 44.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.616 ' HA ' HG22 ' A' ' 32' ' ' THR . 0.3 OUTLIER -104.04 122.72 45.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -96.69 140.74 30.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.433 ' HE1' ' HG1' ' A' ' 142' ' ' THR . 24.3 m95 -136.6 158.52 44.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -120.52 141.31 50.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -134.37 126.2 29.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.27 128.72 53.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.33 120.2 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.28 175.05 8.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -30.81 65.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 ttt -75.76 -33.72 60.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -53.56 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -64.86 -31.41 72.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.473 ' HE1' HD11 ' A' ' 14' ' ' ILE . 7.6 t80 -64.74 -31.0 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -57.21 -36.39 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.76 -40.43 95.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -64.09 -34.66 78.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.662 HG22 ' CD1' ' A' ' 18' ' ' TRP . 31.9 mm -70.52 -34.12 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.062 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.15 83.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.072 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -65.89 -47.93 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.5 p -60.37 -35.26 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.662 ' CD1' HG22 ' A' ' 14' ' ' ILE . 2.2 m95 -60.12 -52.3 65.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.875 0.369 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -90.69 149.55 22.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -103.91 105.2 15.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.14 134.02 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.61 147.82 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' O ' HG23 ' A' ' 28' ' ' ILE . 8.0 m-85 -138.99 135.09 33.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 27' ' ' TYR . 3.6 pt -156.02 132.92 6.27 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.69 166.63 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.471 2.114 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.73 -63.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 27.3 mt -136.03 124.37 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.7 t -123.3 163.14 21.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -118.83 147.86 18.41 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.0 146.37 17.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.625 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -152.18 166.45 31.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.771 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.701 ' C ' HD22 ' A' ' 58' ' ' LEU . . . -158.99 157.57 28.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.726 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.701 HD22 ' C ' ' A' ' 57' ' ' GLY . 2.9 mm? -127.08 146.99 50.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.75 150.72 20.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.026 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -159.47 160.93 35.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -126.08 137.45 53.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.29 136.99 37.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -52.99 -22.68 5.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.556 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -90.4 35.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.666 0.27 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 53.03 43.62 62.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.628 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -122.03 161.06 23.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 111.043 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.13 125.18 49.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -118.38 159.92 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.42 130.38 2.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.9 163.42 22.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.668 0.27 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 4.3 m-85 -119.98 118.78 31.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.604 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 85' ' ' ILE . . . -122.53 109.85 14.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.477 ' O ' HD12 ' A' ' 85' ' ' ILE . 2.2 mtt -143.48 169.88 16.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 111.247 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.32 129.96 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -106.62 114.17 28.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.999 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 98.31 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.844 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.63 179.76 5.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.7 m -80.57 -2.89 48.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.371 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -135.77 -47.53 0.67 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -60.66 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.811 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -125.93 165.38 18.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -66.84 132.14 47.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -132.98 98.85 15.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.568 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 59.0 Cg_endo -71.88 156.45 56.58 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.451 2.101 . . . . 0.0 112.281 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 73' ' ' MET . 4.2 mp -137.38 127.6 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.25 117.68 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.569 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.18 -156.09 7.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.929 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -157.04 138.29 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.741 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.66 155.88 17.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.583 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -115.83 116.82 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -145.72 168.08 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -129.87 113.23 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 p -95.15 135.69 36.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -135.4 113.95 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -96.72 133.96 23.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.48 88.41 1.17 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.52 2.147 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.48 -27.14 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.66 72.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.207 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -167.89 166.81 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 63.24 141.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.415 ' HB2' ' CE1' ' A' ' 134' ' ' TYR . 3.7 m120 -94.04 5.12 52.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.407 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.36 114.36 2.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -93.95 135.96 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.3 tp -116.1 154.24 30.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -165.82 139.07 5.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.1 mt -137.72 139.5 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 168.9 -172.0 43.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.58 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -117.32 171.01 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.444 HG21 HD21 ' A' ' 129' ' ' LEU . 27.9 p -137.99 117.98 13.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.18 116.85 21.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.55 158.85 27.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.4 m -101.68 145.06 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.4 p -112.91 133.17 55.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.568 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.544 0.211 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.643 ' O ' HD22 ' A' ' 123' ' ' LEU . 45.6 Cg_endo -68.38 161.07 46.39 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.456 2.104 . . . . 0.0 112.337 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 122' ' ' PRO . 4.1 mm? -131.68 100.12 16.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.39 148.19 73.09 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.407 2.071 . . . . 0.0 112.281 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.98 119.93 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.81 129.72 56.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.98 129.46 6.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.543 ' HD2' HG22 ' A' ' 144' ' ' ILE . 74.0 Cg_endo -75.46 130.06 12.49 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.496 2.13 . . . . 0.0 112.426 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 109' ' ' THR . 3.6 pp -150.3 171.39 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -131.29 164.76 24.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.7 m -120.29 129.13 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.05 115.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -133.89 177.94 18.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.682 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.444 ' O ' HG12 ' A' ' 137' ' ' VAL . 0.3 OUTLIER -165.89 122.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.613 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 66.4 -134.84 33.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.382 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -86.56 20.87 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.773 2.315 . . . . 0.0 112.967 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 134' ' ' TYR . 9.4 p -136.57 137.0 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 42.9 m -124.99 145.1 50.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -130.67 143.84 51.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -135.26 122.1 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 8.0 mtt -115.08 146.79 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.021 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 8.9 t -133.32 133.56 42.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . 0.425 ' HB3' ' CE1' ' A' ' 154' ' ' TYR . 13.6 p90 -135.9 133.53 37.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.041 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.543 HG22 ' HD2' ' A' ' 128' ' ' PRO . 2.3 pt -121.4 91.99 48.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo . . . . . 0 C--N 1.345 0.37 0 C-N-CA 122.555 2.17 . . . . 0.0 112.404 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.65 136.1 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 143' ' ' TYR . 2.5 m-85 -112.43 147.0 37.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.783 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.07 121.09 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -103.17 126.17 50.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.048 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -130.91 128.56 40.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 28.0 mtp -83.01 149.91 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.414 ' HB2' ' CE1' ' A' ' 27' ' ' TYR . 10.4 ttm180 -140.06 148.79 42.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -128.99 146.69 50.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -101.16 124.37 46.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -138.76 121.94 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.813 0.34 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -79.02 -37.18 39.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.2 mtp -66.73 -41.86 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 p -60.48 -32.76 71.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -73.66 -39.63 64.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -67.58 -36.06 80.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.45 ' HA ' HG22 ' A' ' 14' ' ' ILE . 3.6 mtm180 -77.45 -37.95 50.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.13 -39.91 90.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.16 -51.69 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 10' ' ' PHE . 19.2 tt -61.56 -43.18 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.06 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -64.37 -35.18 80.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -66.86 -52.24 45.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -59.91 -35.77 75.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -71.44 -42.43 68.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.648 ' HG3' HD22 ' A' ' 58' ' ' LEU . 2.8 tt0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -97.47 174.09 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -116.04 99.8 7.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.13 122.65 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.664 HD23 ' H ' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -92.03 149.95 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.664 ' H ' HD23 ' A' ' 26' ' ' LEU . 47.7 m-85 -137.18 120.31 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HD2' ' A' ' 29' ' ' PRO . 3.2 tp -144.0 134.23 11.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD2' HD12 ' A' ' 28' ' ' ILE . 54.5 Cg_endo -69.49 159.81 52.19 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.462 2.108 . . . . 0.0 112.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.39 -52.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.665 ' HB ' ' HB3' ' A' ' 156' ' ' ALA . 28.5 mm -112.22 131.45 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.1 p -150.14 148.41 28.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.1 m95 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.7 151.85 20.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.537 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.4 136.79 13.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.529 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 29.7 p90 -152.09 125.2 8.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.42 -165.21 12.46 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.558 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.648 HD22 ' HG3' ' A' ' 22' ' ' GLU . 2.0 pp -142.16 170.09 16.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.445 ' CB ' ' CH2' ' A' ' 67' ' ' TRP . 79.1 p -163.46 174.39 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -153.77 163.51 39.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -106.72 140.58 39.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -95.03 140.1 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -22.92 13.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.437 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -92.99 35.05 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.51 50.22 64.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.594 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.89 159.59 26.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.445 ' CH2' ' CB ' ' A' ' 59' ' ' SER . 4.0 t90 -136.85 108.58 7.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 5.7 p80 -134.13 152.07 51.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.76 164.19 30.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mt -102.17 165.98 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.701 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 12.5 m-85 -139.12 118.7 13.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.759 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -101.43 109.89 21.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.44 ' O ' HG22 ' A' ' 85' ' ' ILE . 1.1 mpp? -114.77 137.23 52.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.741 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.76 131.84 53.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.15 117.4 23.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -95.81 129.93 42.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.11 179.65 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 m -76.37 -30.95 57.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -36.02 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.53 118.77 32.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -165.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -55.5 124.44 17.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -106.17 98.88 20.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.63 150.94 28.23 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.563 2.176 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.523 HD12 ' OG1' ' A' ' 113' ' ' THR . 2.0 tt -153.76 124.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.185 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -115.04 117.91 31.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA2' ' CA ' ' A' ' 111' ' ' GLY . . . -122.62 135.93 10.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.504 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.413 ' CE1' ' HB2' ' A' ' 68' ' ' HIS . 4.3 t80 -92.02 110.03 21.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -96.24 125.78 8.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.95 112.01 18.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -140.36 155.17 46.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -95.06 133.19 39.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.1 146.08 27.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -143.81 143.09 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -96.27 104.08 16.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.422 ' HB3' HD12 ' A' ' 104' ' ' LEU . 46.8 Cg_endo -68.69 -172.81 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.386 2.057 . . . . 0.0 112.338 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -48.51 81.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.606 ' HB3' ' CB ' ' A' ' 102' ' ' PHE . . . -59.42 -51.82 68.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.4 t0 59.73 175.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 64.93 -75.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -88.62 -50.97 5.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.606 ' CB ' ' HB3' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -74.04 134.95 43.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.35 155.94 46.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.526 ' CD2' HG23 ' A' ' 132' ' ' VAL . 11.1 mt -139.33 163.0 33.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.26 159.06 28.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.53 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.2 OUTLIER -149.45 140.19 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.939 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.636 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 176.17 -160.53 28.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 1.3 m-85 -125.35 163.67 22.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 51.4 m -139.33 112.57 8.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.513 ' HB1' ' CD2' ' A' ' 126' ' ' LEU . . . -119.06 129.25 55.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.404 ' CA ' ' HA2' ' A' ' 87' ' ' GLY . . . -145.38 -179.24 21.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.734 HG12 ' HA ' ' A' ' 124' ' ' PRO . 14.8 m -141.99 150.44 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 111.077 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.523 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -98.98 127.21 44.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.765 0.317 . . . . 0.0 111.384 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.23 151.03 15.68 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.604 2.203 . . . . 0.0 112.245 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.74 86.92 42.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.734 ' HA ' HG12 ' A' ' 112' ' ' VAL . 30.9 Cg_exo -61.61 140.0 84.31 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.646 2.23 . . . . 0.0 112.211 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.476 HG12 ' CD2' ' A' ' 127' ' ' LEU . 21.3 t -150.05 116.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.513 ' CD2' ' HB1' ' A' ' 110' ' ' ALA . 7.9 mt -113.02 123.37 50.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 125' ' ' VAL . 0.5 OUTLIER -150.05 137.22 11.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 71.0 Cg_endo -74.5 143.46 30.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.501 2.134 . . . . 0.0 112.409 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.811 HD22 ' HG2' ' A' ' 140' ' ' GLN . 4.2 mt -137.9 155.21 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -139.05 139.83 37.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.4 t -104.67 114.23 28.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.526 HG23 ' CD2' ' A' ' 104' ' ' LEU . 11.8 p -144.99 123.02 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 160.22 -140.85 7.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.529 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -119.22 152.57 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.277 . . . . 0.0 110.646 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.492 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -43.55 -50.81 6.83 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.046 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 57.5 Cg_endo -71.97 -26.9 18.04 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.423 2.082 . . . . 0.0 112.778 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.631 ' O ' HG13 ' A' ' 137' ' ' VAL . 8.3 p -142.02 97.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.0 0.428 . . . . 0.0 111.239 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.558 HG23 ' HB2' ' A' ' 159' ' ' ARG . 1.6 t -97.64 144.85 26.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.588 ' CE1' ' HB1' ' A' ' 156' ' ' ALA . 2.2 t80 -104.79 119.21 38.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.811 ' HG2' HD22 ' A' ' 129' ' ' LEU . 1.9 tt0 -108.28 114.02 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . 0.696 ' O ' HD23 ' A' ' 129' ' ' LEU . 0.2 OUTLIER -106.42 138.83 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 155' ' ' PHE . 1.2 t -119.57 147.62 44.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.65 105.98 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.963 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.29 130.13 23.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 C--N 1.345 0.368 0 C-N-CA 122.446 2.097 . . . . 0.0 112.348 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 65.5 t30 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.6 m -138.28 136.68 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -123.15 142.25 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.405 ' O ' HG22 ' A' ' 142' ' ' THR . 45.8 m-85 -108.38 141.82 39.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.665 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . . . -114.94 125.76 54.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 24.4 m0 -131.02 144.6 51.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -103.03 153.14 20.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.558 ' HB2' HG23 ' A' ' 138' ' ' THR . 54.6 mtm180 -130.92 140.01 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -112.13 139.27 47.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -89.94 118.37 29.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.59 140.83 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -31.23 71.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtt -71.75 -55.87 6.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.974 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -59.31 -31.3 69.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -67.02 -48.18 69.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.562 ' O ' HG22 ' A' ' 14' ' ' ILE . 67.2 t80 -60.22 -36.76 78.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -67.79 -41.39 83.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.66 -31.68 52.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -68.43 -53.78 21.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 10' ' ' PHE . 7.5 tp -60.42 -35.47 63.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.91 -35.09 64.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.66 -34.71 74.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.518 HG21 HH11 ' A' ' 60' ' ' ARG . 47.6 p -73.16 -31.65 64.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -73.32 -31.51 64.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -173.8 161.47 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.92 149.02 23.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -125.52 130.24 51.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.24 126.86 53.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -112.77 128.82 56.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.5 pt -149.47 147.63 23.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.98 111.92 3.28 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.595 2.197 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 158' ' ' MET . . . -90.19 -61.34 1.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.7 pt -155.05 162.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 t -138.48 169.98 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.921 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.594 -0.202 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.94 164.94 22.43 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.393 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.01 158.05 27.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.676 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -151.97 147.07 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.06 -157.26 8.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 mt -135.99 178.24 7.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -133.72 168.68 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.518 HH11 HG21 ' A' ' 17' ' ' THR . 30.6 mtp85 -156.35 148.93 23.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -100.24 127.77 46.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.58 136.83 32.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.84 -23.49 12.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.403 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -92.95 34.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.776 0.322 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.34 40.8 86.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.53 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.05 157.22 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -122.37 99.79 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.98 157.71 16.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.729 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.09 131.59 1.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.833 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.712 HD11 ' HB1' ' A' ' 86' ' ' ALA . 8.7 tt -98.61 156.63 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.581 0.229 . . . . 0.0 110.578 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.471 ' N ' HD23 ' A' ' 70' ' ' LEU . 17.0 p90 -146.09 118.65 8.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.781 0.324 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.4 110.03 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 36.7 ttp -116.65 132.71 56.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.81 131.39 55.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 75' ' ' PHE . 15.9 p90 -119.71 138.82 53.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -96.75 129.59 44.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.74 167.05 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -5.3 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.405 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.64 -47.69 0.33 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.936 0.398 . . . . 0.0 110.769 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -75.73 -173.17 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.793 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -102.69 178.34 4.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -61.07 144.26 53.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -131.57 117.34 16.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -81.97 148.12 15.24 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.598 2.199 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 112' ' ' VAL . 4.3 mp -142.92 119.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.712 ' HB1' HD11 ' A' ' 70' ' ' LEU . . . -107.25 117.84 35.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -118.28 135.79 11.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.37 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.7 ' CZ ' HD12 ' A' ' 70' ' ' LEU . 89.0 m-85 -93.01 110.3 21.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 111.005 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.879 ' CA ' HG22 ' A' ' 109' ' ' THR . . . -95.74 133.68 11.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.444 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.401 ' CZ3' ' O ' ' A' ' 88' ' ' TYR . 27.0 p90 -132.56 118.11 18.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -145.69 168.02 21.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 m -112.68 106.43 14.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.8 p -95.03 145.5 24.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -138.42 141.53 39.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.1 129.37 28.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.82 -169.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.472 2.115 . . . . 0.0 112.239 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.06 -34.82 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.99 -48.42 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.8 149.07 40.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.016 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -110.35 -31.87 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -59.83 -40.8 89.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 134' ' ' TYR . 1.1 t80 -70.61 143.4 51.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -136.5 151.54 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.8 tt -153.81 119.74 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.544 ' O ' HD22 ' A' ' 106' ' ' LEU . . . -145.52 169.08 27.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.464 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.544 HD22 ' O ' ' A' ' 105' ' ' GLY . 0.4 OUTLIER -138.83 151.47 47.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.3 -147.95 9.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.67 165.17 28.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.879 HG22 ' CA ' ' A' ' 89' ' ' GLY . 17.1 p -143.87 124.71 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.713 ' HB2' HD12 ' A' ' 126' ' ' LEU . . . -99.43 113.96 26.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.04 109.74 3.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.612 ' O ' HG23 ' A' ' 85' ' ' ILE . 21.6 t -103.25 132.38 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.418 ' HA ' HG23 ' A' ' 85' ' ' ILE . 4.0 t -98.94 140.83 32.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 122' ' ' PRO . 2.1 pp . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.717 0.294 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.669 ' O ' HD12 ' A' ' 121' ' ' ILE . 34.2 Cg_endo -64.4 163.01 28.21 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.616 2.211 . . . . 0.0 112.255 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.3 tp -128.01 99.57 25.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.51 ' HB3' HG22 ' A' ' 112' ' ' VAL . 74.1 Cg_endo -75.34 156.23 41.48 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.545 2.163 . . . . 0.0 112.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.619 HG12 HD13 ' A' ' 127' ' ' LEU . 21.3 t -149.97 115.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.789 ' O ' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -95.94 125.27 40.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 126' ' ' LEU . 4.7 mp -142.47 156.63 63.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.79 125.05 12.14 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.689 2.259 . . . . 0.0 112.212 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.693 HD11 ' OE1' ' A' ' 140' ' ' GLN . 0.2 OUTLIER -130.73 152.58 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 141' ' ' MET . . . -137.94 168.19 20.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.1 m -139.35 113.98 9.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.09 126.36 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.61 -158.3 20.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.582 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.413 ' HB3' ' CD2' ' A' ' 102' ' ' PHE . 33.9 p90 -170.91 126.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.815 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.95 -131.31 25.5 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.381 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.6 5.07 6.37 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.623 2.215 . . . . 0.0 113.043 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.6 t -112.99 116.75 53.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.809 0.338 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 69.6 m -125.05 115.41 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.015 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -109.12 118.24 36.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.693 ' OE1' HD11 ' A' ' 129' ' ' LEU . 2.6 pt20 -103.95 131.33 51.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.009 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . 0.63 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 9.5 mmt -85.05 135.07 34.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.66 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.45 HG23 ' CD2' ' A' ' 129' ' ' LEU . 2.9 m -128.65 142.68 50.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . 0.647 ' O ' HD23 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -144.57 160.65 40.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.726 HD12 HD21 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -124.45 91.78 49.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.115 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 C--N 1.345 0.35 0 C-N-CA 122.696 2.264 . . . . 0.0 112.23 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.838 0.351 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.9 t -118.17 141.71 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -105.81 147.13 28.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -137.67 129.92 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.23 122.05 46.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.54 144.67 41.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . 0.5 ' HB2' ' HB2' ' A' ' 30' ' ' ALA . 1.2 mtt -103.0 137.29 41.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -129.27 126.57 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.91 142.71 51.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.58 120.12 31.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.412 ' O ' HD12 ' A' ' 163' ' ' LEU . 10.4 t80 -109.96 144.55 38.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 162' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -62.49 -40.83 97.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.6 mtm -64.48 -39.03 93.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -63.1 -31.94 73.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 -38.06 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.12 -43.08 58.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -30.96 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -31.34 67.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 17' ' ' THR . 1.9 t30 -78.19 -46.6 20.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.78 -37.93 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.79 98.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -67.37 -42.0 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 13' ' ' ASN . 31.7 p -62.35 -46.18 89.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -66.28 -33.56 76.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -136.81 168.51 19.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.37 108.73 15.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.57 147.03 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mp -117.4 147.18 42.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.731 ' O ' HD13 ' A' ' 28' ' ' ILE . 9.5 m-85 -128.79 117.74 21.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.731 HD13 ' O ' ' A' ' 27' ' ' TYR . 23.9 mm -140.2 138.82 19.74 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.26 149.19 23.02 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.452 2.101 . . . . 0.0 112.248 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' HG3' ' A' ' 158' ' ' MET . . . -124.08 -69.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 30' ' ' ALA . 19.6 pt -158.36 170.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 t -155.06 147.73 24.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 5.0 t90 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.41 -168.89 25.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.57 -144.08 6.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.546 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -130.89 173.9 10.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.39 164.58 29.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.543 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.19 168.03 19.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 m -142.15 169.36 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.34 144.32 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -110.95 119.96 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' HB2' ' CB ' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -100.08 137.03 39.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -22.87 6.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.572 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 35.07 0.92 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.12 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.39 47.55 68.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.849 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -121.98 111.31 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.928 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -97.98 93.07 6.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -78.79 162.83 25.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.76 141.62 6.47 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.79 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.869 HD22 ' CE1' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -132.36 166.22 22.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 179.862 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.499 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 10.1 p90 -152.09 118.49 5.63 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.613 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 85' ' ' ILE . . . -102.07 109.95 21.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.608 ' HB2' HD11 ' A' ' 85' ' ' ILE . 38.6 mtp -119.84 156.15 31.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB1' ' NE1' ' A' ' 82' ' ' TRP . . . -121.74 130.25 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -109.58 131.64 54.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -111.65 118.31 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.71 -175.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.7 m -69.58 -34.83 74.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -103.62 -73.94 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -166.54 105.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -162.22 88.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.422 ' NE1' ' HB1' ' A' ' 74' ' ' ALA . 4.0 t90 -73.02 130.38 40.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.22 98.76 4.3 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.07 160.05 40.37 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.517 2.145 . . . . 0.0 112.39 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.629 ' O ' HD12 ' A' ' 85' ' ' ILE . 2.4 pp -149.69 119.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -115.94 122.93 46.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.61 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -103.55 164.44 15.5 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.979 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.869 ' CE1' HD22 ' A' ' 70' ' ' LEU . 7.4 m-85 -156.08 130.92 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.693 0.282 . . . . 0.0 110.807 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.61 174.73 42.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.606 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.42 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 70.6 p-90 -126.82 146.38 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 110.839 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -143.65 157.9 44.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 m -102.79 125.07 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.1 p -80.5 139.22 36.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -133.95 115.27 14.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.43 ' HD2' ' CE1' ' A' ' 103' ' ' HIS . 1.1 ttt180 -133.66 141.58 40.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.01 168.22 21.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.534 2.156 . . . . 0.0 112.289 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.61 -40.39 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.21 71.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 60.43 84.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.8 -176.66 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -62.22 -32.01 72.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.35 124.45 20.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.43 ' CE1' ' HD2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -123.38 137.81 54.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 104' ' ' LEU . 4.3 mm? -116.7 139.15 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.621 ' C ' HD12 ' A' ' 106' ' ' LEU . . . -153.76 125.55 1.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.621 HD12 ' C ' ' A' ' 105' ' ' GLY . 11.0 mp -127.93 133.57 49.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.13 179.31 48.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.402 ' HD2' HD23 ' A' ' 126' ' ' LEU . 4.4 m-85 -104.53 154.81 19.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.5 ' OG1' HD12 ' A' ' 129' ' ' LEU . 44.7 p -139.49 142.5 37.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.88 114.01 27.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -86.33 109.67 3.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.28 117.15 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.577 ' HA ' HG22 ' A' ' 85' ' ' ILE . 26.2 m -99.04 148.91 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.491 0.186 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 162.87 1.81 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.398 2.065 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 123' ' ' LEU . 9.0 tt -114.89 86.99 14.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.83 160.38 48.03 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.537 2.158 . . . . 0.0 112.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.581 HG12 ' CD2' ' A' ' 127' ' ' LEU . 21.5 t -147.56 116.0 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.038 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -83.0 114.06 21.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.019 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.581 ' CD2' HG12 ' A' ' 125' ' ' VAL . 0.2 OUTLIER -150.04 144.52 17.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 53.2 Cg_endo -69.28 142.84 51.2 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.517 2.144 . . . . 0.0 112.337 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.5 HD12 ' OG1' ' A' ' 109' ' ' THR . 0.5 OUTLIER -141.67 131.33 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -105.72 163.32 12.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -144.92 124.85 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.45 129.51 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.763 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -109.21 140.85 15.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.772 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -158.13 111.79 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.175 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.49 -136.56 50.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.891 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -89.77 29.89 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.792 2.328 . . . . 0.0 112.664 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.24 136.99 29.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.919 0.39 . . . . 0.0 111.406 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.13 119.9 29.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.662 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -104.09 144.08 32.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -130.47 130.4 44.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.3 ttm -120.23 129.98 54.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 129' ' ' LEU . 11.4 t -117.32 151.82 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.169 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 154' ' ' TYR . 4.1 m-85 -132.86 132.76 42.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.639 ' O ' HG23 ' A' ' 144' ' ' ILE . 1.0 OUTLIER -105.94 103.48 44.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.216 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo . . . . . 0 C--N 1.346 0.445 0 C-N-CA 122.512 2.141 . . . . 0.0 112.184 179.874 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.817 0.342 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 154' ' ' TYR . 12.3 p -134.05 154.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.429 ' HB3' ' CE1' ' A' ' 143' ' ' TYR . 20.9 p90 -134.03 146.86 50.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -116.5 161.04 19.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.782 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.423 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -112.6 160.33 17.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -152.4 132.88 13.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . 0.704 ' HG3' ' HB2' ' A' ' 30' ' ' ALA . 26.6 mtt -99.83 138.68 36.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -130.36 136.62 49.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.05 135.13 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.772 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -94.77 121.69 36.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.99 135.41 37.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.0 mmm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.37 -174.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.17 -56.23 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.09 -28.83 57.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.711 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.44 -40.6 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -69.83 -31.07 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.2 ttt -72.37 -55.06 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -58.19 -30.79 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.27 -46.23 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.625 ' CD2' HD11 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -76.0 -44.88 37.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -30.22 67.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.029 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.93 -36.11 67.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.037 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 17' ' ' THR . 12.6 t30 -78.94 -36.68 41.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.625 HD11 ' CD2' ' A' ' 10' ' ' PHE . 15.4 mt -78.08 -36.0 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.261 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.12 64.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.272 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.91 -28.05 61.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.092 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 13' ' ' ASN . 19.0 p -81.07 -25.12 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.27 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -95.76 -28.45 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.242 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -83.84 -37.21 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.086 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -108.08 80.53 1.09 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.53 -173.93 1.49 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.577 2.184 . . . . 0.0 112.188 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 60.29 110.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -110.65 147.49 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -77.08 107.67 9.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.11 154.7 17.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 pp -149.84 133.35 16.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD1' ' HA3' ' A' ' 55' ' ' GLY . 24.8 p90 -127.5 159.83 33.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 29' ' ' PRO . 2.6 pp -154.33 158.72 32.38 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.51 ' O ' HD12 ' A' ' 28' ' ' ILE . 61.3 Cg_exo -51.76 148.01 23.11 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.555 2.17 . . . . 0.0 112.367 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.31 -65.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.749 HG13 ' HB3' ' A' ' 156' ' ' ALA . 21.3 pt -153.75 132.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 t -133.79 155.78 49.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -97.78 161.99 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -112.45 140.7 46.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.646 ' HB2' ' CG2' ' A' ' 153' ' ' VAL . . . -102.99 -38.87 7.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -55.58 32.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 59.75 27.7 17.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.02 163.16 12.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.24 87.56 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.675 ' HB3' HG21 ' A' ' 44' ' ' THR . 3.8 m-20 -59.51 113.05 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -149.46 31.51 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -112.4 -60.65 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.66 36.29 3.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.675 HG21 ' HB3' ' A' ' 40' ' ' ASP . 4.9 t -151.66 36.13 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -64.61 -31.93 73.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -130.26 166.06 21.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.28 122.15 14.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -116.8 140.98 48.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.85 122.09 46.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -114.39 146.54 36.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.45 171.54 17.5 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.551 2.167 . . . . 0.0 112.321 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -122.94 -177.86 3.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.38 -177.85 16.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.565 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -118.81 132.94 9.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' HA3' ' CD1' ' A' ' 27' ' ' TYR . . . -101.36 140.81 15.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.53 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -152.02 174.17 13.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.716 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.88 179.59 29.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.643 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -140.36 170.73 15.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -141.15 159.75 41.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -140.36 164.71 29.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -127.94 147.72 50.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' HB2' ' HB3' ' A' ' 66' ' ' ASN . 6.5 t0 -119.21 141.43 48.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.03 -20.73 26.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.382 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -92.08 34.99 0.99 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.744 0.307 . . . . 0.0 111.175 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.47 46.97 91.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.627 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB3' ' HB2' ' A' ' 62' ' ' ASP . 3.5 t-20 -117.32 148.47 41.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.431 ' CE3' HG21 ' A' ' 93' ' ' THR . 19.3 t-105 -126.48 101.1 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.05 134.85 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.587 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -122.01 112.93 2.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.716 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 87' ' ' GLY . 4.3 mm? -124.93 130.98 53.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.657 0.265 . . . . 0.0 110.655 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CE2' HG21 ' A' ' 109' ' ' THR . 23.2 m-85 -114.84 152.37 32.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.969 0.414 . . . . 0.0 110.971 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.38 109.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.622 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.403 ' HG3' ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -154.08 175.63 13.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.304 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.94 130.84 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.999 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -111.46 144.31 40.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -106.89 133.52 51.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -91.32 170.02 10.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.5 p -66.92 -30.68 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.424 ' CH2' ' HG3' ' A' ' 81' ' ' LYS . 54.3 p-90 -100.52 31.37 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 61.09 109.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HG3' ' CH2' ' A' ' 79' ' ' TRP . 0.0 OUTLIER -175.81 118.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -94.32 122.92 37.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -107.68 98.74 25.85 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.874 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 73.9 Cg_endo -77.51 134.22 13.68 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.555 2.17 . . . . 0.0 112.339 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.556 ' CD1' HG23 ' A' ' 113' ' ' THR . 19.5 mm -124.76 138.78 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . . . -138.15 121.1 16.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.726 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -103.9 151.75 17.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.463 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.421 ' HD2' HD11 ' A' ' 70' ' ' LEU . 50.4 t80 -157.25 114.75 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.817 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.23 -161.98 22.78 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.56 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -128.63 144.9 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.736 0.303 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -137.46 148.1 45.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -110.27 105.31 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.431 HG21 ' CE3' ' A' ' 67' ' ' TRP . 3.4 t -104.37 127.68 52.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -94.8 142.45 27.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 -108.25 146.56 33.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.12 -167.75 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.536 2.158 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mp -93.12 -73.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.32 -52.07 25.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -66.75 -177.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.06 -45.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -59.24 -44.32 92.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -62.71 117.58 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -125.86 143.96 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 105' ' ' GLY . 1.7 tt -144.33 127.09 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.571 ' N ' HD23 ' A' ' 104' ' ' LEU . . . -179.32 -174.47 45.43 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 105' ' ' GLY . 5.3 mp -144.76 170.9 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.24 -167.04 31.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -134.2 126.04 29.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.492 HG21 ' CE2' ' A' ' 71' ' ' TYR . 3.2 m -127.88 140.4 52.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.7 113.99 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.737 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -92.71 141.29 15.49 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 86' ' ' ALA . 35.5 m -115.86 117.8 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.556 HG23 ' CD1' ' A' ' 85' ' ' ILE . 2.3 m -99.08 111.83 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.874 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . -82.37 152.05 26.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.265 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -158.04 130.0 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.29 107.55 15.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.94 169.33 2.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 -98.83 32.79 2.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -165.75 -43.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.98 48.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.79 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.96 159.03 73.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.98 121.59 7.73 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.563 2.176 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mt -128.0 140.78 39.19 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.55 160.82 25.28 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.63 2.22 . . . . 0.0 112.394 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 111' ' ' GLY . 28.8 m -150.09 142.65 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mt -94.26 127.85 40.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.592 HD11 HG22 ' A' ' 144' ' ' ILE . 4.4 tp -149.95 117.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 143' ' ' TYR . 72.9 Cg_endo -76.13 135.14 16.73 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.435 2.09 . . . . 0.0 112.371 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.578 HD23 ' OG1' ' A' ' 142' ' ' THR . 3.3 mp -131.24 177.75 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -146.74 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.1 m -126.9 117.64 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 132' ' ' VAL . 11.6 p -145.08 117.6 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.24 -169.68 38.01 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -165.41 120.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.764 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.7 -130.21 22.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.38 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -79.71 2.16 8.62 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.596 2.197 . . . . 0.0 112.877 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.4 t -110.82 98.94 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.853 0.359 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 88.8 m -111.39 126.76 55.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.623 ' HE1' ' HB1' ' A' ' 156' ' ' ALA . 0.2 OUTLIER -106.3 123.45 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.95 116.78 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 7.2 mtt -110.33 149.22 30.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.578 ' OG1' HD23 ' A' ' 129' ' ' LEU . 65.5 m -157.0 121.11 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 128' ' ' PRO . 9.1 p90 -112.76 156.36 22.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.592 HG22 HD11 ' A' ' 127' ' ' LEU . 2.0 pt -129.25 91.99 40.23 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.89 157.8 58.91 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.626 2.217 . . . . 0.0 112.345 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -156.59 -84.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 74.4 p -127.75 -61.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -168.91 -60.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -89.38 -42.94 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -98.39 27.09 4.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -156.14 63.87 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.574 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -173.56 57.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.646 ' CG2' ' HB2' ' A' ' 35' ' ' ALA . 21.4 t -108.0 157.09 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.443 ' N ' HG12 ' A' ' 153' ' ' VAL . 86.2 m-85 -127.46 142.76 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -121.06 147.3 45.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.749 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -139.39 126.13 20.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.47 ' CD1' ' HA ' ' A' ' 29' ' ' PRO . 22.6 m0 -137.6 159.49 41.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.4 mtt -85.85 150.33 24.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -143.85 133.31 23.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -128.7 143.38 50.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -100.27 110.95 23.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -131.82 172.74 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 37.7 tp -124.06 133.25 53.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 63.41 -78.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 62.99 31.35 16.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -130.47 -46.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -168.85 156.74 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -120.05 -66.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 8.0 t60 68.47 -68.04 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.824 0.345 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -133.1 -172.17 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.17 -56.12 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -74.29 -28.75 61.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.603 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.63 -32.1 68.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.765 ' O ' HG22 ' A' ' 9' ' ' THR . 0.7 OUTLIER -73.11 -29.89 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 ttm -77.85 -28.98 50.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -57.24 -44.01 83.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 6' ' ' TRP . 11.0 t -59.78 -29.99 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -42.0 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.698 ' HA ' HD12 ' A' ' 14' ' ' ILE . 6.0 ttm-85 -63.36 -37.03 85.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -35.17 75.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -62.55 -42.63 99.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 11' ' ' ARG . 4.7 mt -64.46 -42.0 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.95 86.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -69.34 -38.07 77.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 p -71.47 -36.5 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -65.92 -35.17 79.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -78.02 -42.39 32.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -80.14 150.98 72.33 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.25 153.76 9.12 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.619 2.213 . . . . 0.0 112.362 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.07 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -127.83 161.62 28.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -120.91 98.48 6.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -93.02 120.82 33.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 56' ' ' PHE . 3.5 mm? -102.32 135.16 44.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.423 ' CD1' ' HG2' ' A' ' 159' ' ' ARG . 10.0 m-85 -125.8 138.95 53.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pp -155.3 154.44 28.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.68 135.02 31.94 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.593 2.196 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.68 -75.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.676 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 1.3 tt -147.57 142.37 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.668 HG21 ' CE2' ' A' ' 155' ' ' PHE . 4.3 t -139.06 174.28 10.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -94.22 151.33 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -95.03 127.4 41.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.47 167.69 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -146.65 30.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -159.33 29.76 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.01 154.01 18.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.067 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.41 85.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -88.04 115.66 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.49 36.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.13 -66.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -162.22 -67.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.63 -62.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -118.65 -72.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -164.81 110.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.62 -36.28 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.812 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -83.42 166.92 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -129.72 117.52 20.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -67.15 149.83 98.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 172.03 13.93 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.559 2.173 . . . . 0.0 112.274 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -84.45 105.61 15.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.89 135.84 12.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.24 129.14 9.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -102.21 144.55 16.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.595 ' HB2' ' HB3' ' A' ' 72' ' ' ALA . 69.7 m-85 -152.06 173.96 14.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.735 0.303 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.17 159.64 29.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.549 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 59' ' ' SER . 7.7 tt -115.05 138.46 50.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.309 . . . . 0.0 110.768 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.625 ' O ' HD23 ' A' ' 58' ' ' LEU . 11.0 t -90.35 153.53 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.033 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.76 159.85 30.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -137.53 144.15 41.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -109.06 141.41 41.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.34 -23.56 9.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.421 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -93.1 35.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.676 0.275 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.81 50.91 58.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.557 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -122.08 161.08 23.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.913 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.11 121.03 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -121.39 162.87 19.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.05 158.87 25.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.549 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.68 HD21 ' CZ ' ' A' ' 88' ' ' TYR . 7.4 mp -108.9 166.04 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.723 0.296 . . . . 0.0 110.69 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 3.0 m-85 -116.96 118.75 33.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.779 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 56' ' ' PHE . . . -114.49 109.84 18.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.052 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.877 ' HB3' HD13 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -123.36 152.66 41.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.81 130.01 14.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -111.5 121.83 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 118.96 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.8 -174.95 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.8 p -81.02 -35.04 32.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -178.16 38.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -109.3 -77.58 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -178.74 151.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 82' ' ' TRP . 1.3 m95 -77.42 151.06 34.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.96 98.81 51.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.638 ' C ' HD12 ' A' ' 85' ' ' ILE . 86.3 Cg_endo -83.08 155.65 14.88 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.616 2.21 . . . . 0.0 112.424 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.877 HD13 ' HB3' ' A' ' 73' ' ' MET . 5.1 mp -147.12 132.58 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.11 117.9 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.18 -172.76 12.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.824 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.68 ' CZ ' HD21 ' A' ' 70' ' ' LEU . 47.4 m-85 -143.94 114.3 7.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.706 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -110.85 146.25 17.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.65 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -115.08 111.9 21.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.74 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -124.77 163.37 22.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.9 t -142.02 107.86 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.7 t -84.68 145.77 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -144.49 129.86 18.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -85.2 126.56 67.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.68 -168.26 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.413 2.075 . . . . 0.0 112.275 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.1 tp -98.54 -31.03 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.19 -51.36 25.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.55 155.81 20.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -108.15 -58.01 2.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -64.15 -37.92 89.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -72.66 114.01 10.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -113.87 136.12 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.654 ' HG ' HG12 ' A' ' 132' ' ' VAL . 2.8 tt -118.66 119.8 35.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -131.77 178.94 17.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.612 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 2.9 mt -149.27 156.57 42.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.54 -164.14 33.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 108' ' ' PHE . 3.8 m-85 -136.21 170.95 15.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.76 0.314 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.626 ' OG1' HD21 ' A' ' 129' ' ' LEU . 80.6 p -142.76 129.71 20.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.546 ' CB ' HD23 ' A' ' 126' ' ' LEU . . . -134.43 114.77 13.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -136.38 -173.02 12.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.47 136.63 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.337 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.4 p -111.84 128.68 56.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.423 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . . . -85.99 117.05 24.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.79 135.09 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -97.25 104.93 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -140.97 -47.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -95.4 -64.4 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -160.71 -63.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -166.61 44.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.0 pt -112.27 92.91 20.2 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.24 162.99 1.77 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.47 2.113 . . . . 0.0 112.378 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.37 104.84 53.1 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.792 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.28 155.66 68.52 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.419 2.079 . . . . 0.0 112.37 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 127' ' ' LEU . 12.3 p -145.0 135.02 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.627 ' C ' HD12 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -146.88 120.38 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.627 HD12 ' C ' ' A' ' 126' ' ' LEU . 4.9 mp -149.95 146.86 21.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.408 ' HB3' ' CD2' ' A' ' 108' ' ' PHE . 65.7 Cg_endo -73.76 153.01 48.15 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.53 2.153 . . . . 0.0 112.409 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.626 HD21 ' OG1' ' A' ' 109' ' ' THR . 0.4 OUTLIER -169.1 150.3 4.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.612 ' HB2' ' CD2' ' A' ' 106' ' ' LEU . . . -107.0 179.96 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -150.73 136.39 18.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.654 HG12 ' HG ' ' A' ' 104' ' ' LEU . 30.0 m -139.22 115.88 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -98.82 153.16 19.8 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.614 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -155.98 111.95 3.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.45 -133.26 51.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.111 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -88.07 23.56 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.715 2.276 . . . . 0.0 112.842 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.1 m -142.12 143.82 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.904 0.383 . . . . 0.0 111.184 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 91.5 m -124.99 132.81 53.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.85 144.0 37.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -127.52 144.16 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.3 mmt -133.29 130.39 38.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.7 t -120.22 152.05 38.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -130.9 137.03 49.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.03 91.95 37.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.1 139.05 29.06 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.507 2.138 . . . . 0.0 112.282 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -146.15 -145.65 4.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 148' ' ' TYR . 5.9 t -60.11 -48.17 82.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.423 ' N ' HG23 ' A' ' 147' ' ' THR . 0.2 OUTLIER -177.13 -72.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -86.74 -40.7 14.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.09 -25.08 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -126.38 80.61 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -165.56 32.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 32.6 t -114.14 151.51 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -126.73 144.52 50.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.668 ' CE2' HG21 ' A' ' 32' ' ' THR . 7.0 m-85 -117.8 133.05 56.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -94.32 123.33 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.96 134.54 54.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.9 136.52 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.423 ' HG2' ' CD1' ' A' ' 27' ' ' TYR . 50.4 mtp180 -122.62 139.31 54.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -119.46 145.39 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -111.82 114.29 27.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.56 148.63 39.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.95 135.04 53.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.58 131.91 37.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -152.12 168.76 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -76.5 -31.0 57.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 60.46 100.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.1 -38.24 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -109.04 -31.7 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.918 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -122.2 25.16 9.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.26 -56.23 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.742 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.91 -28.9 58.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.715 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.8 -33.28 68.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -34.33 77.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 mmt -79.01 -33.25 45.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.7 p -66.48 -36.9 83.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -60.12 -33.58 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.73 -32.07 72.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -31.83 69.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -74.49 -40.01 62.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.46 -54.24 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 15' ' ' ALA . 2.6 pp -59.64 -37.17 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' N ' HD12 ' A' ' 14' ' ' ILE . . . -63.5 -37.32 86.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -64.78 -53.39 47.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -64.12 -31.22 72.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.39 -31.07 26.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -132.4 90.18 34.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.42 146.16 19.81 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.525 2.15 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -69.4 -63.87 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -164.1 160.88 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 1.3 m-85 -100.72 126.4 47.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -92.3 137.73 32.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.12 127.63 50.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 43.2 m-85 -118.65 127.48 53.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.682 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -139.87 151.75 66.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.31 116.05 2.58 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.62 2.214 . . . . 0.0 112.332 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.76 -58.89 2.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 5.7 tt -165.29 134.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.665 HG22 ' CD1' ' A' ' 155' ' ' PHE . 0.8 OUTLIER -108.25 172.7 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -103.09 135.3 45.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.04 116.56 32.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.621 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . . . -97.73 176.23 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.244 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -85.79 -54.19 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.973 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -114.79 66.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.621 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . . . -100.01 172.96 6.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -64.54 84.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.12 130.95 37.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -117.52 71.25 0.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -166.02 75.81 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -92.25 46.23 1.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 61.72 37.13 16.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.04 -177.96 2.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.21 -43.29 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -98.65 109.98 22.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -117.95 145.54 44.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -135.59 150.09 49.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.12 89.92 26.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.78 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.96 144.38 64.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.519 2.146 . . . . 0.0 112.355 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -134.62 162.77 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.37 179.37 21.67 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.92 175.64 13.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.11 -148.31 13.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.552 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.749 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 3.0 p90 -138.34 174.05 10.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.54 -175.71 35.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.563 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.443 ' CD2' ' CE1' ' A' ' 24' ' ' TYR . 3.5 mm? -116.84 147.27 42.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 p -148.17 133.57 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.0 mtm-85 -129.87 121.12 26.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.78 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -100.02 140.23 34.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -111.06 146.69 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.62 -19.11 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.491 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -90.56 35.21 0.88 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.645 0.26 . . . . 0.0 111.291 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.76 51.38 57.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.647 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -122.03 139.79 53.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 110.922 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.438 ' HZ3' ' HG ' ' A' ' 131' ' ' SER . 2.8 t90 -137.98 90.02 2.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.408 ' CD2' ' NE1' ' A' ' 90' ' ' TRP . 21.9 t-160 -113.71 131.69 56.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.57 154.33 21.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.73 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 88' ' ' TYR . 5.2 mp -90.02 166.04 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.84 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 45.4 m-85 -133.47 118.86 18.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.77 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -107.71 110.3 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -133.54 161.62 34.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.33 130.13 24.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.66 158.19 18.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -99.41 135.55 40.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.72 176.54 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.1 t -63.77 -31.9 73.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -88.68 -78.43 0.34 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -178.65 61.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -134.82 154.4 51.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -102.09 155.0 18.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -136.95 102.0 9.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.11 152.76 79.38 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.343 2.029 . . . . 0.0 112.144 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 113' ' ' THR . 30.4 mt -144.94 142.51 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.315 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -137.96 117.89 13.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.568 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.41 ' CA ' ' HA3' ' A' ' 111' ' ' GLY . . . -139.51 143.66 14.18 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.949 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.421 ' CD2' ' HG ' ' A' ' 70' ' ' LEU . 76.5 m-85 -93.87 131.08 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.745 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -113.62 134.13 11.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.408 ' NE1' ' CD2' ' A' ' 68' ' ' HIS . 12.9 m95 -122.21 111.85 17.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.829 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -135.31 158.87 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.2 m -109.46 124.89 51.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.422 ' HB ' ' CE1' ' A' ' 103' ' ' HIS . 53.0 p -81.5 131.93 35.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -132.94 120.65 21.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.78 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -113.37 137.04 21.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 51.2 Cg_exo -53.95 -171.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.496 2.13 . . . . 0.0 112.299 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.495 ' H ' HD12 ' A' ' 97' ' ' LEU . 1.2 mp -82.8 -31.39 28.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.03 -27.08 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 t0 64.14 81.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -132.17 -176.95 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -57.52 -30.78 65.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.79 98.53 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.422 ' CE1' ' HB ' ' A' ' 93' ' ' THR . 5.8 t-160 -104.75 150.24 24.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 mp -146.02 119.96 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -134.37 175.26 20.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.428 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.5 tt -160.59 152.21 19.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.68 -148.01 9.47 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -139.0 171.0 14.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.341 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.686 HG21 HD12 ' A' ' 129' ' ' LEU . 2.9 t -138.84 114.54 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.509 ' HB2' ' HG ' ' A' ' 126' ' ' LEU . . . -124.42 116.72 23.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.055 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.41 ' HA3' ' CA ' ' A' ' 87' ' ' GLY . . . -148.82 -175.88 21.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.527 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.0 m -120.12 152.55 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.656 HG23 HG12 ' A' ' 85' ' ' ILE . 11.4 m -118.8 146.74 44.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -105.15 147.39 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.2 147.88 51.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.01 -79.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -176.05 66.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.809 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.9 m95 59.41 92.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -101.89 25.54 8.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 55.8 30.7 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.9 pt -152.57 92.95 3.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.3 158.16 48.93 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.454 2.103 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.581 HD23 HG13 ' A' ' 125' ' ' VAL . 2.9 tt -113.85 89.03 15.21 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.802 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.13 135.91 38.92 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.463 2.109 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.581 HG13 HD23 ' A' ' 123' ' ' LEU . 14.8 m -150.01 124.76 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.509 ' HG ' ' HB2' ' A' ' 110' ' ' ALA . 7.0 tt -112.89 126.6 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.567 ' CD2' HG23 ' A' ' 144' ' ' ILE . 3.5 mp -146.19 152.76 47.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.24 148.47 68.54 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.554 2.169 . . . . 0.0 112.294 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.686 HD12 HG21 ' A' ' 109' ' ' THR . 0.5 OUTLIER -151.94 130.0 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -100.18 167.12 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.438 ' HG ' ' HZ3' ' A' ' 67' ' ' TRP . 8.8 t -142.74 136.02 28.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.591 HG23 ' HB2' ' A' ' 139' ' ' PHE . 5.4 m -145.01 115.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.03 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.07 144.31 17.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.551 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -153.72 111.89 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.2 -134.18 52.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.094 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -88.62 27.79 0.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.717 2.278 . . . . 0.0 112.866 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 5.9 m -142.08 148.36 20.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.936 0.398 . . . . 0.0 111.341 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.09 118.2 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.765 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.591 ' HB2' HG23 ' A' ' 132' ' ' VAL . 5.0 m-85 -95.47 144.1 26.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -143.04 119.2 10.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.9 mtp -98.88 145.4 27.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 25.5 m -131.03 122.73 27.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -101.82 136.37 41.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.567 HG23 ' CD2' ' A' ' 127' ' ' LEU . 4.6 mt -127.45 91.97 44.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.98 167.44 24.72 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.521 2.147 . . . . 0.0 112.346 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -144.01 -99.18 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.0 t -99.1 -32.31 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.347 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.22 160.18 17.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -84.56 -31.69 24.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -65.05 -25.1 67.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.038 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 132.22 -174.8 20.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -136.94 -65.42 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.454 HG23 ' HB ' ' A' ' 144' ' ' ILE . 15.6 m -139.55 126.83 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -107.23 133.61 51.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.665 ' CD1' HG22 ' A' ' 32' ' ' THR . 21.6 m-85 -128.74 138.01 51.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -106.13 140.69 38.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -133.26 122.49 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -87.27 154.67 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 27.5 ttt-85 -135.21 144.63 47.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -139.88 143.08 36.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.06 111.32 22.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -123.63 164.99 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.465 HD23 ' H ' ' A' ' 163' ' ' LEU . 1.0 OUTLIER -115.03 142.65 46.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.94 117.77 9.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.13 166.0 30.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.06 29.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -96.84 153.0 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.28 81.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -77.24 178.71 6.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 5.0 t60 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.931 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 mmm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.811 0.338 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -123.42 -40.66 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.063 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.1 -56.12 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -75.14 -28.75 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.698 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.594 ' O ' HG22 ' A' ' 9' ' ' THR . 2.5 tm-20 -68.16 -31.09 70.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.63 -30.83 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.8 mmt -74.63 -31.1 61.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.6 p -73.65 -51.62 16.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 5' ' ' GLU . 2.2 t -59.68 -31.25 69.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -34.05 77.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -31.25 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -73.06 -31.16 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -72.53 -54.9 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 pt -59.79 -30.73 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.47 -41.95 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -63.19 -48.43 78.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -61.9 -30.97 71.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -80.52 -30.26 37.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -77.78 -66.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -85.16 112.67 45.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.42 -63.47 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.377 2.051 . . . . 0.0 112.269 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 58.58 100.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.41 144.99 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -71.01 125.74 27.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -100.93 114.05 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tp -99.98 138.49 36.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -137.12 124.87 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 tp -156.0 133.28 6.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.76 146.04 47.49 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.453 2.102 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.73 -49.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.581 ' HB ' ' HB3' ' A' ' 156' ' ' ALA . 3.8 mp -109.59 137.72 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.475 HG23 ' CE1' ' A' ' 155' ' ' PHE . 12.4 m -154.61 110.44 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.24 142.64 28.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -115.39 125.34 53.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.02 44.84 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.71 -52.05 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 60.66 31.06 20.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.33 -178.77 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -64.59 83.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -76.3 165.91 24.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -144.82 82.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -165.96 32.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -114.16 30.01 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.23 -38.28 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 62.06 78.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.7 mtt85 -99.46 -31.61 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -155.33 162.88 40.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -84.65 133.71 34.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.93 158.91 42.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -116.3 82.43 11.76 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.17 162.03 43.45 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.502 2.135 . . . . 0.0 112.261 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.7 m0 63.29 142.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.59 -175.46 47.2 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.532 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.29 176.7 41.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.04 -149.74 13.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.739 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 30.2 p90 -136.06 173.99 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.39 -158.93 12.13 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.495 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.5 mt -141.03 164.79 29.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.1 p -163.01 163.26 26.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -144.22 -175.94 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -127.76 128.25 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.39 146.54 28.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -53.01 -22.62 5.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.493 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -90.89 35.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.753 0.311 . . . . 0.0 111.223 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.08 49.53 58.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.682 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -122.04 161.0 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -132.2 109.49 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 90' ' ' TRP . 0.2 OUTLIER -126.89 136.88 52.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.82 149.33 14.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.634 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.54 ' H ' HD23 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -81.92 164.77 21.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.738 0.304 . . . . 0.0 110.813 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 5.8 m-85 -138.46 118.87 13.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.797 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -98.7 114.58 27.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.6 mtp -127.72 169.34 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -147.1 131.66 17.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -108.08 137.96 45.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.81 125.82 35.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -87.43 174.88 8.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.2 p -65.88 -30.9 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -83.09 -72.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 179.55 -38.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -56.54 126.34 26.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -102.08 155.0 18.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.758 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.717 ' OE2' HG21 ' A' ' 113' ' ' THR . 7.6 pt-20 -114.18 121.22 36.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.631 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 57.9 Cg_endo -71.43 153.21 60.98 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.429 2.086 . . . . 0.0 112.181 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mt -137.33 120.01 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.282 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -124.42 117.86 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.66 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.7 141.33 9.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.914 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.43 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 23.0 m-85 -91.94 125.42 36.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 110.682 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.04 133.09 11.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.433 ' CD1' ' HB3' ' A' ' 68' ' ' HIS . 18.8 m-90 -113.85 115.61 28.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.749 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -138.16 155.34 48.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.98 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 m -117.24 108.31 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.2 m -75.83 137.68 40.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -118.33 143.99 46.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.83 112.01 30.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -51.59 -178.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.436 2.09 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -29.74 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.49 -29.69 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.11 88.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -146.68 176.05 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -60.05 -36.7 77.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.86 127.22 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.55 156.02 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.54 128.39 18.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.24 175.78 21.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -129.51 145.58 51.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.46 175.91 46.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.562 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 128' ' ' PRO . 7.6 m-85 -119.87 169.76 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.849 0.356 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 73.5 m -134.54 108.95 8.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -114.67 122.97 48.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.33 -164.2 10.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.2 t -149.92 142.81 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.067 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.717 HG21 ' OE2' ' A' ' 83' ' ' GLU . 4.6 m -101.06 119.31 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.631 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . -77.65 141.03 39.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.2 144.79 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -141.2 61.09 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -152.8 -55.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -68.66 -66.86 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -176.0 36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 58.53 64.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.8 mt -115.95 92.92 36.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.74 159.85 6.35 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.533 2.155 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 tp -138.99 94.08 10.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.21 144.69 63.73 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.487 2.125 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.7 t -147.37 141.62 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -119.23 142.05 48.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.895 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 126' ' ' LEU . 3.3 mp -147.98 117.03 4.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.42 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 64.6 Cg_endo -73.45 146.97 40.44 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.488 2.125 . . . . 0.0 112.343 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.4 pp -164.55 167.88 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.525 ' HB2' HD22 ' A' ' 106' ' ' LEU . . . -130.73 139.0 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 m -94.36 116.65 29.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.8 p -144.96 128.81 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.064 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.14 -155.21 11.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.547 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -144.77 112.02 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.974 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.59 -117.14 10.2 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.703 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.11 -17.57 27.98 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.483 2.122 . . . . 0.0 112.652 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.1 t -86.04 117.94 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 0.0 111.096 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.9 m -124.95 108.94 12.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -105.42 117.79 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.54 123.24 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 16.3 mtt -106.08 130.31 54.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.89 151.72 26.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -108.11 138.33 44.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.46 HD11 ' HD2' ' A' ' 155' ' ' PHE . 3.9 mt -120.96 91.96 48.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.4 126.02 13.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.49 2.127 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -129.87 -87.47 0.48 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.608 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.1 t -112.97 -45.44 3.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -60.13 168.48 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.08 -30.64 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -101.33 27.03 6.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.66 149.47 25.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.436 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . 0.439 ' ND2' HG23 ' A' ' 153' ' ' VAL . 7.2 p-10 -130.24 -51.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.439 HG23 ' ND2' ' A' ' 152' ' ' ASN . 21.3 t -120.18 131.99 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -108.64 144.83 35.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.475 ' CE1' HG23 ' A' ' 32' ' ' THR . 0.1 OUTLIER -125.99 137.41 53.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.581 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . . . -118.21 143.65 46.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -140.47 123.36 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 8.5 mtm -90.91 130.67 36.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -126.09 133.98 51.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -134.54 146.99 50.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 134.14 45.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.62 125.14 45.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 165' ' ' HIS . 0.4 OUTLIER -79.6 137.1 37.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -31.9 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . 0.486 ' O ' HD22 ' A' ' 163' ' ' LEU . 0.7 OUTLIER -153.19 137.32 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -115.18 170.98 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -108.32 35.54 3.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.64 35.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -158.01 -60.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.947 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.882 0.373 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.4 ' HB2' ' CB ' ' A' ' 5' ' ' GLU . 1.9 m-20 -62.95 163.37 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.31 -56.11 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.03 -28.95 57.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.629 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 2' ' ' ASN . 10.5 tt0 -69.03 -31.2 69.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -66.39 -31.2 71.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.0 mtm -78.31 -33.14 49.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -64.26 -47.27 80.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -42.88 99.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.67 -31.44 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.73 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.95 -37.27 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.76 -42.69 97.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.64 -34.49 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -32.15 73.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -76.76 -45.89 27.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -30.5 70.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -72.75 -34.2 66.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -85.22 -66.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -131.69 97.19 19.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.85 -168.07 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.41 2.073 . . . . 0.0 112.339 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.9 -75.94 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.21 167.44 20.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -122.22 114.66 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -112.19 167.17 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.456 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -120.9 128.33 52.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -105.63 124.56 49.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.456 HD11 HD23 ' A' ' 26' ' ' LEU . 4.0 mp -141.63 136.09 15.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 28' ' ' ILE . 37.1 Cg_endo -65.76 116.41 3.94 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.425 2.084 . . . . 0.0 112.282 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.76 -76.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.42 ' H ' ' HB3' ' A' ' 156' ' ' ALA . 28.0 pt -150.98 171.03 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 t -145.32 163.72 33.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.6 t90 -88.24 127.47 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -105.47 140.6 38.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.4 171.71 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -149.1 31.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -75.28 -67.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.09 -176.14 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 85.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -108.11 148.83 29.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -155.73 -75.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -166.15 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -143.77 -54.81 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 m -157.2 -52.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -125.68 -67.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -164.78 149.26 9.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.23 148.03 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -100.39 106.64 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -116.81 108.93 16.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -121.65 153.54 59.71 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.14 135.81 30.44 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.512 2.141 . . . . 0.0 112.284 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -76.23 175.59 8.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.07 -143.66 26.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.35 166.65 34.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.77 175.9 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -148.02 141.64 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.832 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.654 ' C ' HD12 ' A' ' 58' ' ' LEU . . . -98.25 137.85 13.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.539 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 57' ' ' GLY . 5.1 mp -151.41 150.97 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.697 0.284 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.0 m -167.98 173.31 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.54 165.9 35.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -101.75 128.6 48.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -94.68 136.97 34.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.91 -22.85 6.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.542 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.57 35.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.696 0.284 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 53.21 43.8 64.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.685 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -122.04 161.09 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 111.031 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -124.37 94.42 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.79 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -70.57 124.81 25.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.88 120.59 6.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 1.3 tp -117.99 151.68 36.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.643 0.259 . . . . 0.0 110.808 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -137.92 165.05 27.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.02 109.95 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 mtp -126.99 177.08 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB1' ' HE1' ' A' ' 82' ' ' TRP . . . -162.2 130.89 4.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -123.24 151.6 42.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -130.94 131.11 44.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.81 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.89 -168.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.5 m -82.56 -34.95 27.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -100.24 37.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.25 105.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -158.77 86.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.427 ' HE1' ' HB1' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -74.44 126.05 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -130.35 98.79 20.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.967 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.673 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 94.9 Cg_endo -79.07 159.87 26.89 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.563 2.176 . . . . 0.0 112.324 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.465 HD12 ' HB ' ' A' ' 113' ' ' THR . 19.0 tt -164.08 136.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.221 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.06 148.87 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.76 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -103.83 157.23 17.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.418 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.412 ' HE1' HG13 ' A' ' 112' ' ' VAL . 31.1 p90 -157.19 110.01 2.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.47 -162.98 12.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.559 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 18.1 m-90 -123.69 145.64 48.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -146.84 150.39 35.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.7 p -115.98 99.93 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.3 p -94.98 125.72 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -125.0 143.71 50.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -131.87 138.98 33.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.76 158.48 43.08 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.432 2.088 . . . . 0.0 112.298 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mp -83.11 -31.24 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.96 -30.59 70.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.77 143.28 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -110.52 -30.61 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -31.55 67.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -82.44 133.87 35.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.516 ' C ' HD12 ' A' ' 104' ' ' LEU . 3.5 m80 -137.43 138.74 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.516 HD12 ' C ' ' A' ' 103' ' ' HIS . 8.4 mp -132.12 163.26 28.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -175.83 152.55 13.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mt -150.63 141.25 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.54 -176.21 44.16 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 128' ' ' PRO . 7.2 m-85 -114.93 157.23 23.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.585 ' OG1' HD21 ' A' ' 129' ' ' LEU . 78.8 p -139.35 142.57 37.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 88' ' ' TYR . . . -113.69 114.07 25.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.22 125.09 8.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.502 HG12 ' CA ' ' A' ' 124' ' ' PRO . 4.3 m -117.4 118.43 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.153 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.617 HG23 HD12 ' A' ' 123' ' ' LEU . 9.8 t -99.57 139.4 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.673 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . -82.14 125.23 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.84 171.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.07 -29.55 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.998 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -88.29 -168.55 2.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -119.02 74.19 0.97 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -115.71 -9.62 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.347 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 65.03 28.75 12.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.798 0.332 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.7 pt -112.85 92.91 22.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.72 156.85 56.69 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.532 2.155 . . . . 0.0 112.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.617 HD12 HG23 ' A' ' 113' ' ' THR . 10.8 mt -109.49 87.47 5.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.502 ' CA ' HG12 ' A' ' 112' ' ' VAL . 70.1 Cg_endo -74.64 148.75 37.5 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.617 2.211 . . . . 0.0 112.394 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.03 115.91 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.96 132.13 43.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 43.0 mt -149.82 131.69 7.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.427 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 72.6 Cg_endo -76.65 126.1 8.68 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.53 2.153 . . . . 0.0 112.251 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.585 HD21 ' OG1' ' A' ' 109' ' ' THR . 2.5 pp -142.13 155.62 45.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -109.27 166.64 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.3 p -129.93 131.73 46.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.472 HG23 ' HB3' ' A' ' 139' ' ' PHE . 16.4 m -141.23 116.06 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.058 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -108.37 158.19 14.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -155.36 112.0 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.724 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 61.61 -134.34 47.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.271 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -87.37 27.42 0.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.739 2.292 . . . . 0.0 112.746 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.03 149.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.176 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 26.5 m -124.93 145.05 50.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.472 ' HB3' HG23 ' A' ' 132' ' ' VAL . 0.4 OUTLIER -127.91 141.75 51.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.577 ' NE2' HD13 ' A' ' 129' ' ' LEU . 4.7 tp60 -132.72 144.0 49.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.0 tpp -140.76 137.48 33.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.545 HG23 ' HB3' ' A' ' 129' ' ' LEU . 14.2 m -124.08 119.19 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -127.37 162.08 27.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.655 ' O ' HG23 ' A' ' 144' ' ' ILE . 0.6 OUTLIER -135.91 91.99 16.97 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.65 145.63 64.33 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.599 2.199 . . . . 0.0 112.298 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 161.13 156.45 8.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.436 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 50.1 p -99.33 42.58 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.6 -177.98 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.03 -21.03 21.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -95.38 27.06 3.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.155 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -139.81 -157.61 7.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.32 60.09 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.0 m -151.68 137.72 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -129.14 127.46 41.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -108.59 130.0 55.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.42 ' HB3' ' H ' ' A' ' 31' ' ' ILE . . . -91.1 153.59 19.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.428 ' CZ3' ' HB3' ' A' ' 155' ' ' PHE . 0.0 OUTLIER -153.7 150.3 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -117.59 145.62 44.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -129.15 125.26 36.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.83 140.46 32.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.66 108.06 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -139.01 153.44 48.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 163' ' ' LEU . 2.8 pp -130.19 129.47 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -94.35 179.19 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -109.11 -44.23 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -140.98 150.74 43.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -94.22 -60.63 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -63.52 111.05 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -91.91 116.13 28.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.854 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.841 0.353 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -108.51 34.82 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.14 -56.19 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -75.95 -28.9 58.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.673 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.08 -39.82 83.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -63.4 -34.31 77.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mmt -69.46 -31.77 70.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 m -64.89 -42.31 94.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.2 -38.35 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -42.08 70.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -59.48 -40.67 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -64.24 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -75.09 -57.03 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 pt -60.8 -29.8 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.85 -50.66 61.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -59.08 -32.3 69.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.8 m -71.22 -30.56 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -56.39 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.2 -38.42 86.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.17 143.52 45.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -73.53 -35.7 4.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.51 2.14 . . . . 0.0 112.32 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 61.19 77.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -158.78 126.74 5.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -100.12 109.41 21.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -92.83 147.21 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.65 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 2.6 mp -102.16 158.42 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -138.27 132.16 31.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.9 tt -155.65 138.98 10.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.48 153.12 14.42 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.457 2.105 . . . . 0.0 112.284 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' HB1' HD12 ' A' ' 31' ' ' ILE . . . -129.32 -67.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.447 HD12 ' HB1' ' A' ' 30' ' ' ALA . 3.8 mp -140.26 138.98 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 m -133.7 154.28 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -147.5 153.42 39.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -111.68 117.54 33.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.643 ' HB3' HG22 ' A' ' 153' ' ' VAL . . . -101.16 90.94 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mtp-105 -155.08 30.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 59.21 36.16 23.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.7 153.47 22.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.62 83.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -125.0 110.79 14.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.56 -68.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -157.29 29.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -116.85 -37.36 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m 63.1 90.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -65.39 -25.54 67.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.44 -172.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 t80 61.38 31.66 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -101.37 167.08 10.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -93.23 156.17 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -128.33 105.13 19.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.07 158.53 2.24 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.436 2.09 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -167.56 115.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.29 174.54 29.15 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.545 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 74' ' ' ALA . . . -172.36 -172.78 38.47 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.82 -170.27 43.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.538 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.65 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 6.1 m-85 -114.94 174.03 6.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.749 0.309 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.46 162.7 30.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -136.29 131.81 34.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -105.48 169.03 8.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.5 137.67 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -99.97 124.1 44.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -87.59 143.16 27.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.15 -23.09 12.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.395 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -93.31 35.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.62 51.9 53.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.656 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.36 158.77 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -136.58 96.04 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 2.8 p80 -134.02 152.03 51.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.37 174.93 46.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.57 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -104.17 162.07 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.668 0.271 . . . . 0.0 110.836 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 16.9 p90 -146.01 118.92 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.822 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.58 114.68 27.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.279 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -102.66 175.23 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.646 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 54' ' ' GLY . . . -150.61 130.5 13.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 111.154 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -116.39 116.1 27.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -82.96 131.88 35.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -115.4 134.58 54.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 79' ' ' TRP . 0.6 OUTLIER -59.28 -20.77 57.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.446 ' CZ3' ' HB2' ' A' ' 78' ' ' SER . 27.1 m-90 -128.27 -44.83 1.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.622 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.67 -161.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.649 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.57 179.71 4.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -60.16 124.2 19.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -104.54 99.07 16.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 70.0 Cg_endo -74.4 148.19 37.87 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.555 2.17 . . . . 0.0 112.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 113' ' ' THR . 18.9 mt -149.23 124.76 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -115.52 117.85 31.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.012 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -119.49 135.83 11.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.367 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 68' ' ' HIS . 8.9 t80 -110.03 113.69 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.988 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.48 ' HA3' HG22 ' A' ' 109' ' ' THR . . . -122.47 143.34 15.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.568 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 90' ' ' TRP . 41.2 p90 -120.01 120.97 37.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -135.36 167.87 20.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.6 t -103.85 129.87 51.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.886 HG22 ' CE1' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -98.54 130.08 45.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.988 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -136.16 146.23 46.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -124.93 148.59 60.33 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.09 -168.02 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.59 2.194 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.85 -34.09 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.04 -51.99 11.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -100.79 162.64 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -123.39 -38.1 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -62.34 -46.08 90.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -59.36 120.31 9.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.886 ' CE1' HG22 ' A' ' 93' ' ' THR . 0.3 OUTLIER -130.4 131.01 45.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.482 ' HB3' HG23 ' A' ' 132' ' ' VAL . 0.8 OUTLIER -128.68 138.71 52.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.74 161.53 28.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.539 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mp -142.79 151.2 40.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.51 -161.8 28.04 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.1 141.2 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.48 HG22 ' HA3' ' A' ' 89' ' ' GLY . 3.6 p -109.99 120.88 43.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.56 127.44 19.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -160.41 -147.98 5.1 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 m -135.33 148.23 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 111.24 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.793 HG23 HG12 ' A' ' 85' ' ' ILE . 77.7 m -113.05 137.45 51.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.422 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . -78.31 179.26 7.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.01 171.06 20.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -140.06 38.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.812 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -131.09 -48.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.424 ' CG ' HD12 ' A' ' 121' ' ' ILE . 76.1 m95 -81.02 -76.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -177.3 -66.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -159.85 30.76 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.424 HD12 ' CG ' ' A' ' 118' ' ' TRP . 32.1 mt -76.42 114.14 35.44 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.038 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.16 147.17 78.59 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.38 2.054 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.52 91.67 17.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.3 133.41 42.25 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.54 2.16 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.4 m -139.36 152.03 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.88 114.31 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.668 HD12 ' OG1' ' A' ' 142' ' ' THR . 0.3 OUTLIER -150.02 150.13 29.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 14.5 Cg_exo -68.77 139.14 43.0 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.66 2.24 . . . . 0.0 112.2 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 140' ' ' GLN . 9.2 tt -150.15 140.83 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.22 137.53 42.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 86.9 p -109.32 120.72 43.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 104' ' ' LEU . 12.2 p -144.98 131.75 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.36 -141.84 3.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -164.25 122.59 1.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.809 0.337 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.47 -130.38 23.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.373 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.54 2.78 8.08 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.495 2.13 . . . . 0.0 112.93 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.6 t -109.24 109.81 29.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.8 0.333 . . . . 0.0 111.205 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.408 ' HG1' ' HB3' ' A' ' 159' ' ' ARG . 29.1 p -125.03 108.95 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -84.93 125.94 33.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.508 ' HG2' HD21 ' A' ' 129' ' ' LEU . 5.5 mt-30 -121.24 113.92 20.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 39.5 mtm -117.28 151.44 36.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.668 ' OG1' HD12 ' A' ' 127' ' ' LEU . 1.5 t -129.49 141.59 50.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -116.08 108.41 16.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.403 HD12 ' HD2' ' A' ' 145' ' ' PRO . 3.3 tp -92.28 134.27 28.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.403 ' HD2' HD12 ' A' ' 144' ' ' ILE . 58.7 Cg_endo -71.91 168.12 24.78 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.451 2.1 . . . . 0.0 112.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 161.16 92.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 m 60.51 36.71 19.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -172.38 155.68 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -89.8 -35.68 15.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -75.85 -25.06 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 136.28 168.11 11.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -115.08 -66.13 1.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.643 HG22 ' HB3' ' A' ' 35' ' ' ALA . 21.2 t -110.47 154.02 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.401 ' N ' HG12 ' A' ' 153' ' ' VAL . 22.8 m-85 -125.56 139.04 53.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -132.96 136.23 45.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -119.51 137.86 53.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -138.06 137.12 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.6 ttp -97.88 134.32 41.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.408 ' HB3' ' HG1' ' A' ' 138' ' ' THR . 1.7 ttt180 -124.77 135.1 52.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.24 147.06 31.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -100.69 116.55 32.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.69 130.43 54.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.99 148.4 22.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -134.16 85.91 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -174.55 127.56 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -70.29 140.98 52.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -94.17 126.43 39.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 45.0 t60 60.51 110.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -102.41 -48.25 4.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.774 0.321 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -135.63 72.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.21 -55.98 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -76.19 -28.84 57.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.558 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -38.01 89.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -68.6 -35.67 77.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 ttt -70.57 -31.52 68.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -66.15 -41.28 90.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.8 t -74.17 -39.08 63.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.68 -44.3 82.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -50.17 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.69 -31.83 72.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.581 ' O ' HG23 ' A' ' 17' ' ' THR . 0.1 OUTLIER -69.21 -45.71 69.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.674 HG22 ' CD1' ' A' ' 18' ' ' TRP . 17.5 mt -72.42 -31.45 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -32.19 72.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.71 -42.93 32.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 13' ' ' ASN . 72.5 p -59.84 -52.54 65.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.674 ' CD1' HG22 ' A' ' 14' ' ' ILE . 17.9 m95 -60.58 -33.49 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -60.93 -32.19 71.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -107.57 79.48 0.81 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 56.9 Cg_endo -70.68 136.64 31.02 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.582 2.188 . . . . 0.0 112.311 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.21 -66.62 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -98.15 118.35 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.439 ' CE2' ' HG2' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -88.2 115.31 25.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -116.64 154.86 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.44 146.46 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' O ' HG23 ' A' ' 28' ' ' ILE . 54.9 t80 -138.98 118.98 13.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 27' ' ' TYR . 9.8 pt -155.93 158.54 31.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.9 165.62 0.78 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.595 2.197 . . . . 0.0 112.356 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.537 ' HB2' ' HG3' ' A' ' 158' ' ' MET . . . -142.69 -67.0 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tt -166.08 145.19 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.431 HG21 ' CE2' ' A' ' 155' ' ' PHE . 19.3 p -144.54 171.44 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -86.01 140.49 30.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 40' ' ' ASP . 8.3 p-80 -88.07 115.73 25.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -175.24 96.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -126.96 -58.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -164.12 -43.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.85 149.98 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.422 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 18.4 p90 -61.63 84.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 34' ' ' HIS . 5.6 t70 -98.24 145.41 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.67 -40.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.37 42.26 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.806 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 61.13 30.95 19.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -99.26 35.59 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -80.33 178.2 8.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 31.52 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -166.34 159.63 15.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -118.03 114.41 23.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.51 137.21 54.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -130.47 79.93 71.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.02 145.26 44.44 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.574 2.183 . . . . 0.0 112.291 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -147.92 159.59 43.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.95 143.49 3.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.48 -162.43 32.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.24 -149.5 9.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.613 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 17.5 p90 -108.89 160.85 15.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.13 177.42 16.38 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 mp -138.58 175.05 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.365 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.3 p -153.67 146.29 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -132.93 121.5 22.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -99.95 113.75 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.9 OUTLIER -87.65 144.88 26.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -57.8 -18.95 25.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.464 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -89.87 35.08 0.84 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.623 0.249 . . . . 0.0 111.232 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.59 47.1 86.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.714 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 18.4 m-20 -122.04 151.86 40.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -137.7 92.06 2.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.75 155.31 40.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.21 124.26 4.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.637 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.618 HD23 ' H ' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -111.31 146.89 36.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.574 0.226 . . . . 0.0 110.641 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.715 ' HE2' HG21 ' A' ' 109' ' ' THR . 22.8 m-85 -126.91 118.8 25.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -121.24 110.01 15.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -142.81 178.03 7.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.238 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.61 129.96 23.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.982 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -118.05 152.84 34.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.004 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.27 142.28 36.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.2 175.32 5.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -75.48 -15.83 60.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -92.72 17.69 9.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.31 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 55.52 85.2 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.779 0.324 . . . . 0.0 111.036 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.3 170.4 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 17.7 m-90 -115.38 114.97 25.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.05 98.92 12.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.78 151.47 78.66 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.453 2.102 . . . . 0.0 112.338 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.8 mm -122.08 138.57 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.033 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -137.87 117.76 13.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -113.33 152.86 17.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.311 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -157.16 112.34 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.63 -173.12 19.82 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -105.01 140.1 38.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.766 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -144.38 133.95 23.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.23 140.79 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.7 m -99.58 138.64 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -146.01 121.59 10.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -132.19 141.79 42.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.08 -176.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.419 2.079 . . . . 0.0 112.333 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.02 -40.17 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.59 -31.93 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -133.76 162.19 32.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -124.89 23.63 7.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.14 -50.97 5.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -61.6 98.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -83.02 140.29 32.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.415 ' HG ' HG12 ' A' ' 132' ' ' VAL . 0.2 OUTLIER -141.52 140.88 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.26 143.71 7.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.9 mp -140.77 150.29 43.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.81 -168.29 41.38 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.535 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' A' ' 128' ' ' PRO . 6.1 m-85 -125.31 145.85 49.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.785 0.326 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.715 HG21 ' HE2' ' A' ' 71' ' ' TYR . 1.1 p -114.32 136.9 52.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.97 114.59 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -145.39 -149.4 5.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.535 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 124' ' ' PRO . 15.8 m -148.06 162.52 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 111.071 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.606 HG23 ' HB2' ' A' ' 123' ' ' LEU . 1.3 t -127.61 160.75 30.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.91 136.21 53.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -93.35 170.05 9.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.84 -34.39 78.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -40.83 34.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 60.64 32.66 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.38 -68.18 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -169.8 34.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.0 mt -127.92 92.88 41.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.82 163.03 40.56 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.498 2.132 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.606 ' HB2' HG23 ' A' ' 113' ' ' THR . 5.8 mt -112.85 90.08 14.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.428 ' HA ' HG12 ' A' ' 112' ' ' VAL . 76.3 Cg_exo -50.1 140.95 31.6 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.584 2.19 . . . . 0.0 112.436 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 125' ' ' VAL . 31.6 m -149.83 121.07 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.04 123.29 40.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 mp -148.42 129.55 7.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.73 ' O ' HG23 ' A' ' 142' ' ' THR . 72.0 Cg_endo -74.66 150.21 39.57 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.506 2.138 . . . . 0.0 112.323 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.452 HD21 ' HE2' ' A' ' 71' ' ' TYR . 4.3 pp -165.55 173.65 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.02 166.3 27.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.9 t -127.49 123.43 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.415 HG12 ' HG ' ' A' ' 104' ' ' LEU . 6.0 m -145.05 127.17 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.98 -148.59 6.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -170.98 128.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.09 -131.79 28.02 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.523 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -83.3 9.32 4.15 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.705 2.27 . . . . 0.0 113.281 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 m -122.46 106.6 18.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.9 0.381 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.0 m -118.36 117.15 28.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.76 142.71 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -129.57 142.68 50.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.01 146.87 50.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 128' ' ' PRO . 11.1 m -138.34 146.47 42.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -109.01 149.13 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 153' ' ' VAL . 3.7 mp -130.2 91.95 37.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.0 139.83 40.31 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.526 2.151 . . . . 0.0 112.297 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 173.23 136.65 2.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.1 m -86.2 79.87 8.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.75 168.31 12.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.59 -44.93 95.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -77.3 -25.11 50.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -67.51 170.67 34.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 59.79 73.78 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 144' ' ' ILE . 21.4 t -136.01 158.8 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.472 ' N ' HG12 ' A' ' 153' ' ' VAL . 0.1 OUTLIER -118.36 117.12 28.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.431 ' CE2' HG21 ' A' ' 32' ' ' THR . 5.7 m-85 -107.67 134.78 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -111.78 143.65 42.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -137.61 144.17 41.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . 0.537 ' HG3' ' HB2' ' A' ' 30' ' ' ALA . 12.9 mtp -89.0 136.59 32.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 17.0 ttp85 -128.76 143.71 50.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . 0.493 ' CD1' ' CE2' ' A' ' 162' ' ' PHE . 0.7 OUTLIER -122.36 146.55 47.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -114.29 126.07 54.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 160' ' ' PHE . 16.9 m-85 -135.32 115.04 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 163' ' ' LEU . 1.4 mp -108.8 148.5 30.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.67 -37.39 87.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -60.74 148.73 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 60.72 171.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -160.96 38.61 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 126.28 26.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 58.93 -174.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.801 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttm . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.765 0.317 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.35 24.12 8.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.27 -56.22 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.761 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -76.07 -28.92 57.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.695 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.0 -30.93 64.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -31.68 70.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.9 ttt -72.92 -32.25 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 m -60.69 -49.86 75.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.5 p -70.54 -39.55 73.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 14' ' ' ILE . 42.4 t80 -61.61 -40.58 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -62.58 -47.45 83.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.06 -32.16 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -72.75 -57.07 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.447 HG21 ' CE2' ' A' ' 10' ' ' PHE . 2.6 pp -61.8 -32.11 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.199 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.25 -30.76 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -36.07 70.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p -78.6 -37.84 41.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -39.41 79.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -83.08 -56.07 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -95.11 102.9 10.37 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.84 -21.32 44.48 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.408 2.072 . . . . 0.0 112.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 64.56 109.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.893 0.377 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.489 ' CG ' HD12 ' A' ' 163' ' ' LEU . 1.2 t-80 -149.71 117.98 6.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -90.55 115.6 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.23 148.21 47.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.712 ' HB3' HD11 ' A' ' 28' ' ' ILE . 6.5 mp -111.95 124.72 53.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.6 ' C ' HD12 ' A' ' 28' ' ' ILE . 1.2 t80 -101.28 118.74 37.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 26' ' ' LEU . 3.5 mp -142.9 135.96 13.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.09 150.54 77.44 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.448 2.099 . . . . 0.0 112.296 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.06 -75.95 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' ' 156' ' ' ALA . 27.9 mm -112.23 140.49 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.7 p -154.48 133.35 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -94.33 140.17 30.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -87.46 150.03 24.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -161.12 38.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -118.24 -45.6 2.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 59.56 24.85 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.04 -169.94 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -72.23 84.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.86 125.98 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt 60.1 92.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.47 32.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 44' ' ' THR . 4.4 mtpm? -104.83 -33.89 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -169.56 97.09 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.57 32.52 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -128.41 -55.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -93.34 117.76 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.737 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -116.43 147.36 41.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -104.25 166.04 10.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 1.1 mpp_? -79.6 136.47 55.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 50' ' ' ARG . 50.7 Cg_exo -53.78 120.55 8.06 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.458 2.105 . . . . 0.0 112.246 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -169.43 34.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.06 141.19 15.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.09 -172.79 23.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.474 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.75 -152.9 8.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.586 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.683 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 94.3 m-85 -130.92 173.96 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 111.008 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.63 169.56 24.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 59' ' ' SER . 0.4 OUTLIER -150.84 155.67 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.344 . . . . 0.0 110.926 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.472 ' N ' HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -136.69 160.0 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -141.62 159.3 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 24.9 p-90 -121.61 125.95 47.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.05 140.34 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.07 -18.19 45.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.358 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -91.86 35.13 0.97 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.665 0.269 . . . . 0.0 111.215 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.27 44.04 96.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.588 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -122.0 161.01 23.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -137.92 93.24 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.03 148.65 48.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.25 125.01 2.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 87' ' ' GLY . 6.6 tp -111.12 151.2 28.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.677 0.275 . . . . 0.0 110.799 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.434 ' OH ' HG21 ' A' ' 109' ' ' THR . 21.1 m-85 -121.39 155.61 34.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -150.32 109.99 4.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.527 ' CB ' HD12 ' A' ' 85' ' ' ILE . 4.1 mmm -133.89 144.36 48.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.045 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -138.38 136.88 36.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.67 124.06 19.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.43 120.9 39.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -167.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -87.16 -32.99 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.458 ' HE1' HG21 ' A' ' 44' ' ' THR . 6.8 p-90 -162.75 31.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -108.66 -80.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 178.15 -173.59 0.14 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.809 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -89.6 134.09 34.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.55 98.85 15.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.21 160.07 29.72 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.626 2.217 . . . . 0.0 112.492 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.527 HD12 ' CB ' ' A' ' 73' ' ' MET . 22.5 mt -149.25 133.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.15 119.96 15.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.799 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -103.74 155.96 17.7 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.674 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -157.24 109.99 2.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.747 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.15 178.78 23.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.619 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -122.41 122.12 38.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.816 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -129.44 167.87 17.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -123.31 116.13 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.5 m -90.74 127.59 36.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -125.83 129.83 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -105.7 126.0 31.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 102' ' ' PHE . 50.9 Cg_exo -53.95 177.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.452 2.102 . . . . 0.0 112.281 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 mp -111.0 -39.55 4.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.75 74.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.4 122.33 12.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -96.38 41.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.07 -31.37 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 96' ' ' PRO . 32.4 p90 -112.5 140.81 46.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.981 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -109.81 148.49 31.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.752 ' HA ' HG12 ' A' ' 132' ' ' VAL . 4.3 mt -123.69 144.17 49.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.41 140.88 8.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.2 OUTLIER -143.39 134.56 25.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.5 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 167.29 -174.36 42.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -103.11 157.42 17.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 110.798 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.434 HG21 ' OH ' ' A' ' 71' ' ' TYR . 33.0 p -135.06 117.1 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.786 ' HB2' ' HG ' ' A' ' 126' ' ' LEU . . . -119.81 114.0 21.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.787 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.402 ' HA3' ' HA2' ' A' ' 87' ' ' GLY . . . -130.47 -172.23 13.09 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.768 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.2 m -129.28 125.35 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.83 126.05 52.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -89.07 116.95 27.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.672 ' NE ' HD21 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -148.09 170.73 17.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.39 117.4 17.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -127.55 -61.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -154.24 -49.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -132.84 36.95 3.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 60.28 38.7 19.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.7 mm -102.95 104.28 38.79 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.08 163.0 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.472 2.115 . . . . 0.0 112.396 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.672 HD21 ' NE ' ' A' ' 115' ' ' ARG . 2.3 pp -126.06 120.81 23.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.43 162.45 12.27 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.444 2.096 . . . . 0.0 112.222 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.589 HG12 ' CD2' ' A' ' 127' ' ' LEU . 21.5 t -150.04 115.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.786 ' HG ' ' HB2' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -117.45 114.74 23.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.589 ' CD2' HG12 ' A' ' 125' ' ' VAL . 1.2 pt? -150.03 159.23 35.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.414 ' O ' HG22 ' A' ' 142' ' ' THR . 14.8 Cg_exo -68.8 142.69 53.13 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.724 2.282 . . . . 0.0 112.175 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.895 HD12 HG23 ' A' ' 142' ' ' THR . 7.4 tt -149.97 153.81 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.535 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -139.91 139.94 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 p -112.24 114.02 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 104' ' ' LEU . 15.4 m -141.33 139.91 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -169.57 -153.34 8.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.695 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.459 ' O ' HG22 ' A' ' 137' ' ' VAL . 35.0 m-85 -142.54 111.89 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.93 -121.26 11.69 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.779 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -84.39 -0.51 9.45 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.743 2.296 . . . . 0.0 113.465 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 134' ' ' TYR . 3.2 m -110.15 112.37 40.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.851 0.358 . . . . 0.0 111.245 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 159' ' ' ARG . 5.5 t -118.56 137.3 53.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -114.16 135.98 53.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.1 134.22 47.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.14 129.95 48.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.895 HG23 HD12 ' A' ' 129' ' ' LEU . 0.4 OUTLIER -117.03 141.94 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -123.74 115.84 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 1.072 HD13 HG23 ' A' ' 153' ' ' VAL . 3.9 mp -102.51 93.74 4.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.045 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.66 139.75 45.12 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.48 2.12 . . . . 0.0 112.368 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -164.69 86.94 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.53 ' O ' HG22 ' A' ' 147' ' ' THR . 23.8 m 61.78 35.75 16.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -142.8 170.45 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -97.37 -43.43 7.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -97.81 27.03 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.98 173.43 49.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.549 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -95.9 -60.55 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.32 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 1.072 HG23 HD13 ' A' ' 144' ' ' ILE . 5.5 m -132.32 159.68 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -122.64 146.83 47.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.812 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -137.22 121.33 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . . . -110.52 150.51 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -145.01 171.37 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 36.0 mtm -123.43 134.05 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.448 ' O ' HG22 ' A' ' 138' ' ' THR . 0.9 OUTLIER -133.93 122.47 23.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -93.01 125.61 37.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -94.25 123.16 37.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -138.75 117.07 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.489 HD12 ' CG ' ' A' ' 23' ' ' HIS . 1.0 OUTLIER -148.04 119.61 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -124.23 91.01 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -74.22 -32.16 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -85.63 85.73 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.72 134.12 47.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.71 146.71 29.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 42.9 m80 60.81 99.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.937 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.842 0.353 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -78.79 76.63 5.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.21 -56.03 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.11 -28.79 60.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.661 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.2 -29.15 63.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m0 -75.08 -53.59 8.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -30.13 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.8 m -60.54 -55.91 27.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.785 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.3 p -60.71 -44.62 96.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.35 -41.2 96.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -70.75 -31.26 68.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.67 -30.47 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -78.4 -43.24 27.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.1 mt -71.42 -46.15 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.17 98.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -61.73 -46.51 89.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -70.69 -30.67 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.14 -39.69 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -71.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.997 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -69.45 148.04 97.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.07 -167.67 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.556 2.171 . . . . 0.0 112.35 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -166.14 35.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.539 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.6 m170 -109.04 123.36 49.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -118.49 107.15 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -114.87 132.62 56.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.62 126.31 48.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.436 ' O ' HG23 ' A' ' 28' ' ' ILE . 41.2 t80 -100.56 128.17 46.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 27' ' ' TYR . 11.2 pt -156.07 156.42 30.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.21 166.89 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.531 2.154 . . . . 0.0 112.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.681 ' HB1' HD12 ' A' ' 31' ' ' ILE . . . -141.19 -73.8 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.681 HD12 ' HB1' ' A' ' 30' ' ' ALA . 3.9 mp -144.3 151.1 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.8 m -155.99 127.92 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.64 128.18 46.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -104.75 143.88 32.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.25 106.66 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.49 -57.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.768 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 60.29 48.53 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.13 161.05 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -73.61 83.96 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -86.53 154.43 21.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -48.48 52.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.7 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.9 31.71 21.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.31 -47.18 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t70 60.61 109.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.821 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.16 167.35 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -96.64 -64.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -107.83 138.61 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -141.88 106.45 4.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.83 89.08 21.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.75 150.43 68.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.52 2.147 . . . . 0.0 112.284 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 119.5 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.92 119.85 0.74 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.566 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.07 -179.72 43.17 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.13 -143.99 7.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -140.93 174.06 10.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.3 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.95 135.41 4.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.608 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 23' ' ' HIS . 6.7 tp -107.54 137.18 46.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.787 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.44 139.18 52.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -110.52 159.68 17.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -99.97 124.24 45.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.037 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.36 136.92 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.709 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.75 -24.06 8.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.392 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.45 33.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.853 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.91 48.37 73.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.99 161.23 23.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.358 . . . . 0.0 111.2 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.51 92.75 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -120.69 140.01 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.27 -170.81 35.81 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.394 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.469 HD21 HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -94.37 165.23 12.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.839 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -135.9 118.84 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.664 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.87 129.07 49.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.237 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.59 ' HB3' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -148.63 122.26 9.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.23 130.02 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -108.06 111.03 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.744 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -98.65 141.1 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.88 162.56 13.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -62.13 -19.41 62.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -144.92 -43.79 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -170.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -96.62 -174.44 3.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 14.5 p-90 -108.39 142.33 38.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.46 109.65 48.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.105 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.1 160.05 40.3 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.483 2.122 . . . . 0.0 112.236 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.59 HD12 ' HB3' ' A' ' 73' ' ' MET . 44.5 mt -145.57 135.18 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.249 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.08 117.83 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.672 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.16 169.08 26.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.884 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -95.9 118.04 31.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.29 113.43 4.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.638 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -104.3 111.96 24.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.789 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -119.09 130.76 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.022 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -108.2 104.78 14.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.06 137.47 45.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.02 137.55 24.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -128.83 133.64 25.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.907 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 40.0 Cg_exo -57.04 -162.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.509 2.139 . . . . 0.0 112.164 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.3 tp -85.52 -30.24 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.83 -29.82 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.193 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.7 t0 62.67 119.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -170.97 -176.88 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.438 ' HB2' ' CE1' ' A' ' 134' ' ' TYR . 2.1 m-80 -71.11 -23.99 62.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -53.69 107.7 0.28 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -98.06 120.26 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.563 ' HG ' HG22 ' A' ' 132' ' ' VAL . 0.4 OUTLIER -138.78 133.5 32.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.81 -156.8 11.84 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.575 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 107' ' ' GLY . 1.2 tt -108.51 155.15 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.544 ' N ' HD23 ' A' ' 106' ' ' LEU . . . -147.65 130.74 3.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -128.11 128.15 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 1.094 HG23 HD21 ' A' ' 129' ' ' LEU . 48.6 p -105.9 108.97 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.6 123.34 24.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.7 -160.4 23.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.3 m -114.5 150.68 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 111.203 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.3 p -124.03 141.53 51.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.93 116.99 22.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -138.34 163.08 32.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.09 80.29 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -148.77 155.38 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 67.44 -69.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.28 -61.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -164.69 31.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 pp -96.76 146.69 31.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.9 162.97 39.68 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.619 2.213 . . . . 0.0 112.32 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.47 89.44 49.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.2 140.92 32.44 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.609 2.206 . . . . 0.0 112.405 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.487 ' C ' HD12 ' A' ' 126' ' ' LEU . 30.7 m -137.62 147.87 26.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.487 HD12 ' C ' ' A' ' 125' ' ' VAL . 4.3 mp -146.29 115.5 7.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 129' ' ' LEU . 82.7 mt -135.82 117.0 11.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.431 ' HG2' ' CE2' ' A' ' 143' ' ' TYR . 73.4 Cg_endo -75.11 148.55 35.02 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.459 2.106 . . . . 0.0 112.342 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 1.094 HD21 HG23 ' A' ' 109' ' ' THR . 0.3 OUTLIER -161.37 172.62 16.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.03 141.67 51.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m -94.63 122.33 37.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.563 HG22 ' HG ' ' A' ' 104' ' ' LEU . 21.6 t -144.91 132.89 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.4 ' HA2' ' CE1' ' A' ' 139' ' ' PHE . . . -178.64 -160.96 25.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.43 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.576 ' O ' HG12 ' A' ' 137' ' ' VAL . 63.1 t80 -161.66 111.87 1.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.69 -112.29 4.52 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.73 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -85.13 -19.38 3.83 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.774 2.316 . . . . 0.0 113.387 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 134' ' ' TYR . 14.8 p -90.32 114.79 28.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 111.348 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.14 118.36 25.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.427 ' CE2' ' HB ' ' A' ' 132' ' ' VAL . 55.1 p90 -128.15 133.07 48.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -126.44 143.28 51.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 5.3 mtt -112.66 135.4 53.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.3 t -120.59 139.46 52.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 128' ' ' PRO . 19.7 p90 -115.22 137.07 52.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.627 ' O ' HG23 ' A' ' 144' ' ' ILE . 2.3 tt -103.05 93.89 4.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.74 158.3 57.45 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.551 2.167 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -169.29 -43.03 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 6.2 p -132.09 -46.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.28 178.03 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -94.91 -31.52 13.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -99.55 27.2 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.89 171.58 11.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.556 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -109.26 -43.18 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.1 t -129.68 146.16 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -115.9 146.53 41.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -131.98 124.72 29.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.521 ' HB3' ' H ' ' A' ' 31' ' ' ILE . . . -91.06 156.35 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -147.5 134.44 20.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.6 mtt -99.15 140.5 33.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -136.33 128.5 29.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.55 123.43 48.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -90.16 129.31 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.97 134.35 33.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.4 mp -131.52 139.84 49.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -77.6 163.11 26.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -165.9 179.42 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -129.69 127.89 41.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 61.2 155.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 61.05 53.89 3.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -63.41 98.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.879 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtm . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -101.79 71.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.25 -56.23 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.779 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -76.12 -28.94 57.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.709 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.65 -34.02 77.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -44.89 90.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.5 ttt -61.51 -32.25 72.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -60.84 -44.08 97.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.7 m -73.31 -32.9 64.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.546 ' O ' HG22 ' A' ' 14' ' ' ILE . 73.3 t80 -76.04 -31.51 58.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -63.54 -48.03 79.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.81 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -66.25 -54.7 21.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 10' ' ' PHE . 1.1 tp -60.19 -40.85 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -63.51 -32.93 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -71.13 -53.68 13.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -55.62 -27.8 51.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -30.6 18.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -95.66 16.33 17.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -94.22 103.5 10.94 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.05 -167.5 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.42 2.08 . . . . 0.0 112.23 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 61.84 113.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -140.08 168.03 20.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -81.75 109.53 16.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.47 134.59 34.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -119.68 112.07 18.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -99.22 124.78 44.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.423 HD12 ' HD2' ' A' ' 29' ' ' PRO . 3.3 tp -155.97 134.01 7.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.032 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HD2' HD12 ' A' ' 28' ' ' ILE . 56.5 Cg_endo -70.7 -179.04 3.02 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.428 2.085 . . . . 0.0 112.263 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.81 -62.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.99 133.99 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.218 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.7 t -156.05 154.28 30.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -143.05 154.63 44.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -116.19 124.25 49.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 62.0 -82.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.211 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -179.71 71.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.926 0.393 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 2.1 t80 59.14 72.42 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.01 145.67 26.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -63.52 84.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -83.08 152.76 25.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -99.16 33.88 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.89 31.4 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -110.89 -35.5 5.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.6 p -98.92 -31.52 11.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.06 85.47 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.5 125.84 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -162.77 -46.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -80.88 157.34 25.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -112.25 129.08 56.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -66.8 149.0 98.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.84 129.42 32.75 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.511 2.141 . . . . 0.0 112.351 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -104.28 145.64 29.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.403 ' HA3' ' CE1' ' A' ' 75' ' ' PHE . . . -157.05 178.28 33.52 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.438 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.88 176.04 35.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.425 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.73 -165.84 26.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.594 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -147.28 174.08 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.08 -167.86 34.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -132.39 155.46 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.404 ' H ' HD23 ' A' ' 58' ' ' LEU . 2.0 t -123.55 148.64 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.95 142.62 36.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -107.77 167.95 9.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.045 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.62 139.63 51.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.745 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -52.82 -31.21 37.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -68.99 -18.65 64.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.95 46.92 0.92 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.04 161.04 23.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 111.11 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -137.97 105.38 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -131.61 140.1 49.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.998 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.33 -174.43 22.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.58 158.5 43.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.628 0.251 . . . . 0.0 110.788 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 46.0 p90 -157.09 118.75 3.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.31 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.74 117.57 30.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.548 ' HB2' HD11 ' A' ' 85' ' ' ILE . 3.5 mtm -111.91 134.4 53.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.69 139.61 49.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.403 ' CE1' ' HA3' ' A' ' 53' ' ' GLY . 1.2 m-85 -125.58 127.33 46.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -108.67 121.66 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -118.09 -170.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 m -60.16 -29.48 68.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -19.39 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 64.87 60.72 0.82 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.019 0.437 . . . . 0.0 110.766 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -162.08 103.01 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.731 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 30.6 p90 -57.57 128.34 36.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -103.37 98.93 13.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 114' ' ' ALA . 71.6 Cg_endo -77.25 145.49 24.25 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.52 2.147 . . . . 0.0 112.503 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 73' ' ' MET . 2.1 pp -152.74 119.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -99.09 117.85 34.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -105.21 135.78 12.77 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.141 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -104.33 109.93 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 111.05 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.707 ' HA2' HG22 ' A' ' 109' ' ' THR . . . -96.47 108.93 3.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.384 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -113.84 112.3 23.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.815 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -147.45 166.4 27.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.53 143.36 27.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.1 p -99.06 142.72 30.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -146.1 132.96 20.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -110.38 124.86 32.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.31 -171.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.383 2.055 . . . . 0.0 112.28 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.1 mt -99.5 -54.35 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.36 -41.72 55.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.85 162.56 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.22 -50.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -69.38 -31.61 70.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.01 99.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -91.83 135.06 34.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.9 tp -133.31 148.07 51.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.49 163.59 37.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.8 mt -147.48 127.9 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -166.91 -157.79 10.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -131.86 151.4 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.707 HG22 ' HA2' ' A' ' 89' ' ' GLY . 39.5 p -121.67 116.54 24.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -138.4 127.35 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -136.32 -153.9 6.68 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.626 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.87 147.46 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.855 0.359 . . . . 0.0 111.211 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.525 ' HA ' HG22 ' A' ' 85' ' ' ILE . 87.2 m -102.7 160.17 14.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.834 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.551 ' HB2' ' HG2' ' A' ' 84' ' ' PRO . . . -77.24 -169.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.03 170.96 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.405 ' HB2' ' CZ3' ' A' ' 118' ' ' TRP . 25.0 m-20 -124.82 -55.87 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -167.0 33.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.405 ' CZ3' ' HB2' ' A' ' 116' ' ' ASP . 10.3 m-90 -103.28 -74.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -165.76 -69.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -176.79 37.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 pp -100.07 105.44 35.39 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.09 145.58 67.62 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.414 2.076 . . . . 0.0 112.263 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 tp -102.11 94.45 4.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.56 143.24 56.26 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.436 2.091 . . . . 0.0 112.282 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 31.1 m -136.04 141.62 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 127' ' ' LEU . 2.4 tt -115.23 114.25 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.46 HD12 ' C ' ' A' ' 126' ' ' LEU . 5.1 mp -139.03 124.37 11.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 143' ' ' TYR . 15.2 Cg_exo -68.71 148.36 71.53 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.448 2.099 . . . . 0.0 112.061 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.693 HD12 ' OG1' ' A' ' 142' ' ' THR . 7.8 tt -154.31 152.67 30.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -117.89 157.39 26.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.8 p -116.29 114.88 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 132' ' ' VAL . 11.3 p -145.02 115.97 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.984 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.21 -170.96 12.43 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.649 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.456 ' O ' HG12 ' A' ' 137' ' ' VAL . 54.4 t80 -168.42 128.39 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.728 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 65.71 -135.72 35.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.279 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -87.35 23.95 0.77 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.782 2.322 . . . . 0.0 112.843 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 134' ' ' TYR . 9.0 p -138.92 139.76 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.99 145.01 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.803 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -127.4 134.35 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.547 ' HB3' HD11 ' A' ' 129' ' ' LEU . 65.4 mt-30 -126.48 132.93 51.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.41 130.03 55.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.693 ' OG1' HD12 ' A' ' 129' ' ' LEU . 1.5 m -109.56 115.26 29.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 128' ' ' PRO . 45.0 p90 -106.25 125.03 50.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.85 91.92 28.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.208 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.83 122.13 11.1 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.529 2.153 . . . . 0.0 112.236 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -94.29 -114.51 2.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.549 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.2 -49.2 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -176.98 -63.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.06 -21.23 12.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -96.07 27.04 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.208 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -154.94 -150.11 5.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 3.4 m120 63.42 62.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 154' ' ' TYR . 10.9 p -108.63 158.44 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.958 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.478 ' N ' HG22 ' A' ' 153' ' ' VAL . 43.8 m-85 -130.1 146.47 51.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -125.55 133.66 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -91.29 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -142.02 117.43 10.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.96 127.89 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.09 111.27 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . 0.43 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.3 OUTLIER -109.19 147.03 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -113.05 137.54 51.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 160' ' ' PHE . 44.4 m-85 -128.55 174.89 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.76 154.28 33.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.34 -31.23 26.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.45 139.28 9.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -103.36 30.16 5.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.53 -76.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -141.49 -47.52 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 61.03 172.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 11.8 m170 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.89 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.884 0.373 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -168.92 -42.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.18 -56.21 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.17 -28.87 57.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 9' ' ' THR . 68.6 mm-40 -67.0 -37.03 83.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -79.03 -30.58 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -52.18 66.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 9' ' ' THR . 8.0 t -62.5 -47.51 83.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 5' ' ' GLU . 25.4 p -62.79 -31.54 72.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.63 -33.81 73.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -59.94 -41.17 91.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -63.81 -31.14 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -68.32 -34.96 77.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.0 mm -70.73 -50.93 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -37.44 87.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -67.18 -36.2 81.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -35.63 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -62.87 -47.83 81.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -60.47 -58.66 7.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.79 164.57 32.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.55 -168.13 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.579 2.186 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -111.54 -72.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -100.15 161.44 13.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -126.08 121.33 32.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -115.06 165.92 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tp -130.24 116.82 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -94.75 134.4 37.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 158' ' ' MET . 8.3 tt -154.75 136.08 9.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.456 ' HD3' ' HE1' ' A' ' 73' ' ' MET . 18.7 Cg_endo -60.1 125.31 17.24 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.462 2.108 . . . . 0.0 112.228 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 158' ' ' MET . . . -93.31 -77.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.5 tt -156.25 158.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 m -136.75 138.02 40.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.81 124.21 38.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -106.17 129.82 54.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.2 159.41 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.37 -59.52 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.67 -71.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.01 177.89 4.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -82.98 88.29 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.79 115.69 23.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -157.9 33.52 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -98.78 -56.06 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -155.65 82.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -132.58 -47.26 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.95 153.79 41.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.9 ttt-85 -175.65 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -155.05 103.56 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -104.58 120.42 41.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -106.2 165.96 10.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -154.08 159.33 32.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.7 162.55 40.68 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -99.55 89.49 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -134.48 178.73 18.21 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.94 145.27 10.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -146.13 173.23 26.5 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.682 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.412 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 11.1 m-85 -126.48 171.33 11.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 0.0 110.711 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -140.42 134.56 6.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.586 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 mt -122.03 123.01 40.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.9 t -132.21 157.88 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.422 HH22 HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -151.57 163.16 39.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.72 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.421 ' HB3' ' CZ3' ' A' ' 67' ' ' TRP . 19.7 p90 -115.64 154.7 29.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -119.89 147.01 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.89 -22.87 10.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.507 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -92.66 35.04 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.18 44.38 88.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.615 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.64 147.41 31.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.421 ' CZ3' ' HB3' ' A' ' 61' ' ' TRP . 15.4 t-105 -129.98 95.94 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -74.52 146.92 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.749 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.52 118.32 1.4 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.711 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.422 HD22 HH22 ' A' ' 60' ' ' ARG . 4.3 mp -114.55 146.05 41.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.558 0.218 . . . . 0.0 110.466 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -113.48 155.91 24.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.977 0.418 . . . . 0.0 111.165 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -156.32 133.04 10.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.595 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.456 ' HE1' ' HD3' ' A' ' 29' ' ' PRO . 10.2 mtt -161.1 166.93 27.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 0.0 111.267 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -162.16 132.82 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -125.68 171.79 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.01 140.61 50.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.33 -173.47 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -35.0 64.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -101.33 -66.02 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -175.55 103.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -168.15 112.55 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -94.37 123.41 37.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -112.53 98.83 45.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.63 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 87.6 Cg_endo -81.74 159.98 18.95 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.663 2.242 . . . . 0.0 112.51 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.9 mt -139.61 147.67 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.85 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.866 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . . . -138.21 156.99 47.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.086 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -138.05 144.97 16.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.331 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -152.17 109.93 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.832 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.03 169.89 41.14 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.539 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -115.09 154.81 28.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -157.16 163.33 39.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.7 m -115.88 116.25 27.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.86 119.5 33.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.13 148.96 52.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -116.45 132.4 23.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.15 174.63 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.428 2.085 . . . . 0.0 112.337 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 mp -94.86 -41.47 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.03 -43.63 43.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -81.79 172.41 13.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.87 -63.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -68.04 -32.65 73.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -62.13 123.17 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.74 146.43 50.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.13 144.82 40.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.563 ' O ' ' HB1' ' A' ' 130' ' ' ALA . . . -148.78 135.12 5.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.2 tt -126.77 141.58 51.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.59 -159.79 24.6 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -122.05 131.37 53.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.9 p -122.06 134.69 54.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.3 113.92 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.817 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -101.57 140.28 14.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.516 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.866 ' CG2' ' HB3' ' A' ' 86' ' ' ALA . 28.4 m -115.38 125.9 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -99.95 111.89 24.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.63 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . -98.06 141.49 30.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.208 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -158.02 150.06 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.02 -165.19 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.783 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -140.9 122.64 15.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.197 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.7 m0 60.9 55.03 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -179.74 -41.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -123.06 64.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.775 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.8 pt -65.65 157.71 77.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.57 118.14 3.15 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.809 2.34 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -99.95 108.44 51.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.562 ' CA ' HG12 ' A' ' 112' ' ' VAL . 27.3 Cg_exo -62.25 156.31 51.58 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.545 2.163 . . . . 0.0 112.246 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 111' ' ' GLY . 28.8 m -150.04 115.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 126' ' ' LEU . 0.3 OUTLIER -82.3 117.95 22.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 128' ' ' PRO . 5.0 mt -147.93 146.56 24.16 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 14.8 Cg_exo -68.86 136.51 35.63 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.609 2.206 . . . . 0.0 112.08 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 130' ' ' ALA . 4.4 tt -150.1 152.78 35.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.633 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -140.86 161.58 37.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.91 117.2 23.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 31.3 m -134.51 137.8 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.55 -155.48 15.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -171.03 140.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.775 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.05 -135.37 51.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.331 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -86.31 37.12 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.727 2.285 . . . . 0.0 112.79 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.13 121.79 10.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.786 0.327 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.402 HG21 ' HD3' ' A' ' 159' ' ' ARG . 56.3 m -125.03 130.38 52.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.458 ' HE2' ' HB1' ' A' ' 156' ' ' ALA . 0.3 OUTLIER -119.71 143.3 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.465 ' HB3' HD21 ' A' ' 129' ' ' LEU . 10.6 mt-30 -115.12 145.45 42.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 16.3 mtm -131.74 130.01 41.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.2 m -120.97 151.09 40.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.48 141.32 51.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 30.2 mm -112.29 91.93 17.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.38 164.41 35.8 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.642 2.228 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.4 ' O ' ' CE2' ' A' ' 148' ' ' TYR . . . 169.04 -103.56 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.528 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.787 HG23 ' H ' ' A' ' 149' ' ' ASN . 10.0 t -86.86 -24.26 24.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.718 0.294 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.4 ' CE2' ' O ' ' A' ' 146' ' ' GLY . 29.2 m-85 67.93 12.86 9.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.392 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.787 ' H ' HG23 ' A' ' 147' ' ' THR . 8.3 m-80 -110.1 -51.19 2.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.807 0.337 . . . . 0.0 110.765 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -115.04 -25.2 8.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -65.97 -127.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.61 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 60.07 74.02 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 20.4 t -108.43 139.39 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.72 147.01 31.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.26 128.07 43.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.458 ' HB1' ' HE2' ' A' ' 139' ' ' PHE . . . -104.81 122.57 46.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.402 ' CH2' ' HB3' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -118.68 161.26 20.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . 0.502 ' HB3' HG23 ' A' ' 28' ' ' ILE . 3.2 ttp -116.33 144.3 44.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.402 ' HD3' HG21 ' A' ' 138' ' ' THR . 49.6 ttt180 -150.23 123.13 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -111.34 145.01 39.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.32 116.94 33.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -128.1 159.66 34.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.3 mt -143.19 150.96 40.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 60.63 76.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -143.35 144.6 32.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -88.68 139.16 30.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.26 164.9 3.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -98.69 170.24 8.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -98.51 144.7 27.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.714 0.293 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -122.86 -178.84 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.25 -56.11 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.72 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.98 -28.67 64.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.547 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.03 -33.6 57.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.89 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.1 -42.35 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t -56.49 -28.39 59.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.8 m -58.31 -33.48 69.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -76.08 -31.52 58.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.803 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -59.37 -37.63 78.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.19 -31.3 71.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.86 -56.96 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.5 pt -59.55 -33.6 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.77 -31.69 63.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.78 -59.25 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.5 p -59.82 -30.88 69.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -60.11 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -167.54 77.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.8 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -153.57 140.96 13.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HG2' HD12 ' A' ' 58' ' ' LEU . 54.5 Cg_endo -69.5 176.26 6.81 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.46 2.107 . . . . 0.0 112.315 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -153.77 31.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -115.47 144.82 43.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.65 104.18 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.39 126.09 35.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 160' ' ' PHE . 4.9 mp -108.32 149.81 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 12.9 m-85 -133.43 130.67 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 pt -138.21 153.55 73.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.96 156.56 62.54 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.587 2.191 . . . . 0.0 112.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.69 -69.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.713 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 8.1 tp -146.32 141.92 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.0 p -141.26 153.36 45.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -94.48 132.83 38.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.48 115.5 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.75 178.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.5 ttt-85 -160.79 -47.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -144.42 51.47 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.0 144.04 29.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.423 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 16.4 p90 -57.39 89.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -124.96 147.61 48.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -150.91 -75.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.96 44.24 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.1 tttm 61.03 95.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -128.47 31.23 5.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.48 140.08 30.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.83 -43.11 6.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.98 120.82 43.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -97.74 154.36 17.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.62 140.41 36.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -136.13 100.08 10.81 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.408 ' O ' ' CG ' ' A' ' 52' ' ' TRP . 42.6 Cg_endo -67.79 133.03 28.24 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.445 2.097 . . . . 0.0 112.332 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.408 ' CG ' ' O ' ' A' ' 51' ' ' PRO . 1.7 m0 -176.34 157.73 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.19 -147.12 16.97 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.624 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.9 169.42 15.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.56 -153.11 9.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 12.7 p90 -134.92 168.63 18.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.32 175.01 37.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.412 HD12 ' HG2' ' A' ' 21' ' ' PRO . 3.5 mm? -119.01 146.06 45.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.76 175.06 6.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -158.68 165.15 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.466 ' CD1' ' CE2' ' A' ' 67' ' ' TRP . 12.9 m0 -129.21 127.97 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.48 146.83 24.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.06 -23.74 8.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.48 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.77 34.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.723 0.297 . . . . 0.0 111.09 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.96 45.8 85.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.575 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.52 151.41 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.466 ' CE2' ' CD1' ' A' ' 61' ' ' TRP . 5.2 m95 -129.25 101.55 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.88 162.34 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.413 ' HA2' ' CE1' ' A' ' 88' ' ' TYR . . . 169.06 171.88 35.24 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.627 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.841 HD22 ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -91.98 166.08 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 87' ' ' GLY . 18.9 p90 -148.93 121.22 8.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -103.68 121.57 43.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.145 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.401 ' O ' HD12 ' A' ' 85' ' ' ILE . 23.9 ttp -133.87 126.42 30.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.92 140.02 31.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -121.32 117.39 26.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -83.11 139.66 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -112.28 -177.23 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -74.94 -33.13 61.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -163.05 34.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -130.05 23.86 5.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.46 -169.01 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.078 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -90.94 155.01 19.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -136.63 98.92 10.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.79 154.76 54.0 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.504 2.136 . . . . 0.0 112.296 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.656 ' CG2' HG22 ' A' ' 113' ' ' THR . 4.4 mp -142.75 119.99 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.841 ' HB1' HD22 ' A' ' 70' ' ' LEU . . . -109.97 117.98 35.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.636 ' N ' HD23 ' A' ' 70' ' ' LEU . . . -135.79 139.97 11.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.293 -0.956 . . . . 0.0 113.008 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.413 ' CE1' ' HA2' ' A' ' 69' ' ' GLY . 2.6 t80 -96.38 125.81 41.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.47 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.62 152.13 19.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.731 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -106.15 139.42 40.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -150.11 131.79 14.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.981 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.7 t -96.49 126.92 42.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.1 p -79.8 143.58 34.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -145.99 124.28 12.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -101.38 128.74 28.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.799 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.81 -174.49 1.92 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.433 2.088 . . . . 0.0 112.36 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mt -110.66 -32.37 6.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.17 70.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.78 179.13 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -131.08 -55.62 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -60.89 -31.15 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.27 121.16 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.34 130.97 54.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.54 145.09 44.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.72 148.44 17.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 130' ' ' ALA . 6.8 tp -149.72 152.55 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.87 -162.94 35.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.552 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -112.43 170.99 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.476 HG21 HD13 ' A' ' 129' ' ' LEU . 70.2 p -146.72 115.63 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.81 148.02 52.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.412 ' HA3' ' CA ' ' A' ' 87' ' ' GLY . . . -176.16 -157.49 17.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.738 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 124' ' ' PRO . 26.8 m -141.34 153.64 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.656 HG22 ' CG2' ' A' ' 85' ' ' ILE . 10.8 p -105.12 157.22 17.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -98.78 126.19 44.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.7 ttm-85 -154.8 134.82 13.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.53 135.88 38.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -166.02 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.66 -57.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 39.3 m-20 -143.98 41.15 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.435 ' CG ' ' O ' ' A' ' 119' ' ' ASN . 48.0 p90 44.0 35.72 1.23 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.56 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 pt -65.86 111.32 6.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.93 158.5 24.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.507 2.138 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.98 99.68 24.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.534 ' HA ' HG12 ' A' ' 112' ' ' VAL . 36.3 Cg_endo -65.58 133.99 36.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.405 2.07 . . . . 0.0 112.474 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -149.97 146.16 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.28 125.82 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.03 160.02 34.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.82 153.0 73.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.749 2.3 . . . . 0.0 112.174 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.542 HD23 ' N ' ' A' ' 130' ' ' ALA . 7.7 tt -161.6 153.46 19.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.542 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -137.21 175.35 9.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.4 t -150.23 118.22 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.668 HG22 ' CE ' ' A' ' 141' ' ' MET . 15.0 m -141.98 125.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -163.3 -152.24 6.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 134' ' ' TYR . 30.0 p90 -171.06 135.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 64.0 -135.72 40.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.409 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -87.3 28.9 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.816 2.344 . . . . 0.0 113.024 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.98 106.29 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.7 m -109.13 130.06 55.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -107.04 113.96 27.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -106.79 136.62 46.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . 0.668 ' CE ' HG22 ' A' ' 132' ' ' VAL . 4.1 ptp -122.38 129.99 52.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.547 HG23 ' HB2' ' A' ' 155' ' ' PHE . 5.2 t -108.18 139.16 43.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -109.65 120.6 43.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.636 HD12 HG13 ' A' ' 153' ' ' VAL . 27.9 mt -102.31 107.66 54.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.09 136.07 36.67 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.341 2.027 . . . . 0.0 112.328 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -153.15 97.98 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.404 ' O ' ' CD2' ' A' ' 148' ' ' TYR . 0.3 OUTLIER 60.92 31.06 19.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 147' ' ' THR . 1.8 m-85 -166.02 177.98 6.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -106.4 -34.57 7.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -72.87 -25.06 60.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 125.28 -174.89 17.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.564 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -138.63 -66.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.636 HG13 HD12 ' A' ' 144' ' ' ILE . 10.9 p -110.25 143.95 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' A' ' 154' ' ' TYR . 3.5 m-85 -108.43 146.98 32.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.547 ' HB2' HG23 ' A' ' 142' ' ' THR . 1.5 m-85 -136.74 127.71 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -97.66 151.17 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -155.09 139.77 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -96.84 140.8 30.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -132.24 134.66 45.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 26' ' ' LEU . 2.3 p90 -144.97 128.08 16.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -89.95 134.36 34.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.83 115.25 17.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.84 124.69 28.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 61.28 175.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.05 170.02 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -152.85 171.47 18.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 60.21 171.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -139.12 151.76 46.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -115.49 82.69 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.287 -0.864 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 tpt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.834 0.35 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.46 76.21 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.11 -56.15 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -76.04 -28.96 57.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.671 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.18 -31.75 72.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -31.7 69.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 88.5 mtp -64.36 -46.36 83.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.0 p -60.58 -48.7 80.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.7 p -60.26 -35.16 74.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.71 -31.51 71.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -63.5 -40.94 98.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -34.56 75.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.22 -49.19 72.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.463 ' HA ' HG22 ' A' ' 17' ' ' THR . 8.7 tp -69.48 -31.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.55 -34.15 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -74.47 -44.18 52.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.463 HG22 ' HA ' ' A' ' 14' ' ' ILE . 9.7 t -65.17 -34.0 77.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -61.18 2.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -85.97 150.98 53.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.61 -70.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.561 2.174 . . . . 0.0 112.34 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -174.47 -74.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.412 ' CE1' HD22 ' A' ' 163' ' ' LEU . 98.7 m-70 -144.68 172.79 12.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.41 120.56 40.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -104.38 140.35 38.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 56' ' ' PHE . 5.2 mt -135.78 112.41 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.04 125.91 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.2 mt -138.22 135.86 18.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.76 106.93 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.447 2.098 . . . . 0.0 112.241 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 31' ' ' ILE . . . -82.64 -69.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 30' ' ' ALA . 2.6 pt -157.67 164.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 p -139.01 174.55 10.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -95.57 123.97 39.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.17 149.98 38.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . . . -86.42 175.89 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 -87.73 -48.03 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -125.14 74.37 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . . . -100.03 151.78 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.076 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.43 83.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -80.89 151.8 28.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -99.31 31.6 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -71.73 -49.4 39.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt 60.25 31.5 20.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 p 55.62 31.33 17.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.53 117.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.81 140.57 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -161.35 -45.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -80.42 111.92 17.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -102.83 159.89 15.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.76 147.05 35.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.74 171.98 16.19 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.571 2.181 . . . . 0.0 112.371 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -129.5 167.15 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.23 -165.33 13.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.99 149.33 20.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.522 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -107.95 139.75 15.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CE2' HD21 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -152.04 127.71 10.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.36 -163.02 17.8 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.526 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mt -132.68 169.82 16.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.1 p -142.18 157.67 44.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.11 175.59 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -144.09 138.17 28.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -95.25 147.48 23.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.7 -21.32 17.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.455 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -91.65 35.05 0.96 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 111.226 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.43 51.58 55.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.625 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.02 155.39 35.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -128.23 106.83 9.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -127.82 133.59 49.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.58 177.06 43.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.987 HD21 ' HB1' ' A' ' 86' ' ' ALA . 7.1 tt -125.74 162.79 24.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.649 0.262 . . . . 0.0 110.768 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.794 ' N ' HD23 ' A' ' 70' ' ' LEU . 54.2 p90 -144.12 118.87 9.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.857 0.36 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.82 117.45 30.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.95 122.3 47.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.5 130.32 45.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.46 124.83 43.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -82.97 134.59 35.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.68 -176.64 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.5 p -86.81 -13.07 46.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.363 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.06 26.51 4.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.641 0.257 . . . . 0.0 111.166 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 54.94 42.42 31.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -130.53 155.72 46.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -115.28 131.24 56.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.93 98.8 22.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.36 156.54 29.09 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.551 2.167 . . . . 0.0 112.296 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.734 HD12 HG22 ' A' ' 113' ' ' THR . 11.2 tt -151.34 119.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.197 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.987 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -112.52 117.85 33.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.712 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -118.94 138.36 13.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.556 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.473 ' CE1' HD12 ' A' ' 70' ' ' LEU . 47.2 m-85 -89.3 118.69 29.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.775 0.322 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.554 ' HA2' HG22 ' A' ' 109' ' ' THR . . . -98.09 122.11 7.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -126.96 111.94 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.794 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.436 ' OE1' HD11 ' A' ' 129' ' ' LEU . 8.2 mt-10 -145.19 168.05 21.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.0 p -119.46 107.63 13.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.814 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 t -76.82 141.42 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -134.44 122.61 22.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -96.89 109.29 48.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.16 -175.45 0.82 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.364 2.043 . . . . 0.0 112.324 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.84 -32.18 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.88 89.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.21 147.68 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.22 -45.67 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -65.03 -31.92 73.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.45 119.04 20.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -115.62 126.48 54.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 104' ' ' LEU . 10.1 tt -119.44 121.09 38.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -133.13 176.28 19.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.426 ' N ' HD23 ' A' ' 106' ' ' LEU . 0.4 OUTLIER -151.29 147.82 27.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.818 0.342 . . . . 0.0 110.98 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.25 -148.16 11.85 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -146.93 166.21 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.554 HG22 ' HA2' ' A' ' 89' ' ' GLY . 18.1 p -147.41 118.13 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.677 ' HB2' ' CD2' ' A' ' 126' ' ' LEU . . . -96.36 118.56 33.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -93.54 134.3 12.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.616 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.45 HG22 ' HB3' ' A' ' 124' ' ' PRO . 28.0 t -111.86 115.09 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.314 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.734 HG22 HD12 ' A' ' 85' ' ' ILE . 24.9 p -98.87 140.31 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -87.83 117.46 26.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -122.39 144.29 49.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.88 85.39 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -103.44 -68.81 0.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -96.33 -42.74 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -156.65 -61.21 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -176.84 64.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.7 mp -101.88 105.01 39.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.02 162.98 10.36 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.48 2.12 . . . . 0.0 112.266 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.18 87.0 56.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.45 ' HB3' HG22 ' A' ' 112' ' ' VAL . 67.1 Cg_endo -74.13 152.0 44.87 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.616 2.211 . . . . 0.0 112.383 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 125' ' ' VAL . 28.0 m -150.06 116.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.677 ' CD2' ' HB2' ' A' ' 110' ' ' ALA . 9.8 mt -82.03 128.95 34.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.506 HD13 ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -136.07 116.89 11.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.765 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.506 ' HD2' HD13 ' A' ' 127' ' ' LEU . 15.0 Cg_exo -68.65 138.95 42.94 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.527 2.151 . . . . 0.0 112.111 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.78 ' HB3' HG23 ' A' ' 142' ' ' THR . 4.4 pp -166.89 163.14 16.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -109.26 169.49 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.017 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.03 135.35 48.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 133' ' ' GLY . 21.5 t -133.84 158.86 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.48 ' N ' HG12 ' A' ' 132' ' ' VAL . . . -150.9 151.06 23.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.72 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.521 ' CZ ' HG13 ' A' ' 137' ' ' VAL . 2.1 p90 -160.7 111.93 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.395 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 65.96 -136.14 35.3 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.92 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -88.74 23.96 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.779 2.32 . . . . 0.0 112.779 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.521 HG13 ' CZ ' ' A' ' 134' ' ' TYR . 10.4 p -142.13 150.08 19.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.843 0.354 . . . . 0.0 111.405 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 19.5 p -125.01 145.05 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.765 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.81 125.24 37.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.959 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.407 ' HB2' ' CD1' ' A' ' 157' ' ' TRP . 3.7 mp0 -114.29 140.65 48.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.74 131.75 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 129' ' ' LEU . 5.1 m -111.01 146.99 35.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 143' ' ' TYR . 5.0 p90 -139.22 106.51 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 144' ' ' ILE . 8.3 tt -95.54 124.1 54.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.7 127.88 14.43 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.446 2.097 . . . . 0.0 112.243 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' ' 147' ' ' THR . . . -99.4 -36.43 4.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 146' ' ' GLY . 34.4 p -158.29 -45.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -107.5 -177.79 3.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -75.76 -23.3 55.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -62.93 -24.98 68.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.04 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.56 -159.15 16.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -158.15 -58.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.5 t -114.15 138.26 44.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -121.39 141.59 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -142.24 134.34 27.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -129.46 148.22 51.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.407 ' CD1' ' HB2' ' A' ' 140' ' ' GLN . 1.5 p90 -145.85 163.74 34.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.767 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 8.6 ttm -108.89 148.55 30.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.45 128.09 30.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.54 137.34 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -117.09 107.91 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.88 136.73 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 23' ' ' HIS . 11.5 mt -108.86 134.02 52.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 60.46 -176.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -101.74 179.21 4.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -71.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -77.18 164.65 25.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -124.73 31.63 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -148.2 125.18 11.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.928 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.7 mtt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.865 0.364 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -73.1 -174.51 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.16 -56.13 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.13 -28.9 57.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.644 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.07 -31.96 71.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -78.93 -34.44 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 ttm -68.1 -31.85 71.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -57.95 4.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 p -60.79 -32.51 71.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -75.18 -44.38 46.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -66.8 -31.47 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -69.5 -34.26 74.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.38 -55.08 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.964 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 15' ' ' ALA . 2.6 pp -59.29 -37.62 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' N ' HD12 ' A' ' 14' ' ' ILE . . . -70.14 -30.1 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.632 HE22 HD13 ' A' ' 163' ' ' LEU . 45.3 mt-30 -77.2 -46.98 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 18' ' ' TRP . 5.8 t -60.36 -48.17 82.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.426 ' N ' HG23 ' A' ' 17' ' ' THR . 16.4 m95 -62.8 -49.83 73.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.71 -66.29 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -124.76 101.82 32.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.785 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.92 -27.34 36.94 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.401 2.068 . . . . 0.0 112.346 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.09 147.58 34.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -120.86 177.18 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -115.25 117.63 31.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -111.68 139.45 47.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 162' ' ' PHE . 2.1 mp -101.77 140.51 35.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.744 ' O ' HD13 ' A' ' 28' ' ' ILE . 11.1 m-85 -123.25 115.96 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.744 HD13 ' O ' ' A' ' 27' ' ' TYR . 26.0 mm -141.69 135.92 15.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.67 159.31 51.32 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.497 2.132 . . . . 0.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.69 -50.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -141.11 156.34 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -154.77 142.51 19.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.473 ' O ' HG23 ' A' ' 153' ' ' VAL . 3.0 m-90 -92.01 134.49 34.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -110.44 150.0 29.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 61.15 -173.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.7 mtm105 -108.24 -68.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -149.15 71.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.86 172.25 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -77.53 84.06 3.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.75 125.1 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -126.86 -55.39 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.08 -43.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -110.03 67.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 p -137.89 30.82 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -177.32 161.86 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 -179.83 3.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -133.28 35.46 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -92.53 159.9 15.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -130.48 109.44 10.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -105.73 156.44 36.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.24 113.78 3.4 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.535 2.157 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -98.02 -31.12 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.97 149.72 10.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.99 -167.09 33.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.86 -144.9 10.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.541 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -124.9 174.04 8.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.98 160.5 32.54 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.16 160.56 18.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -159.52 163.1 35.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.988 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.8 mtm-85 -137.34 151.82 49.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -99.98 116.93 33.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -77.15 140.09 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.77 -22.56 5.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.47 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -90.7 30.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 111.061 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.15 48.99 75.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.572 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 5.0 m120 -121.29 153.12 38.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -123.57 110.49 15.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -134.03 137.31 44.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.69 159.2 31.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.834 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.998 HD21 ' HB1' ' A' ' 86' ' ' ALA . 12.7 tp -89.63 159.37 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.693 0.282 . . . . 0.0 110.75 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 71.9 m-85 -126.25 118.78 25.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.666 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.8 110.0 21.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.589 ' O ' HG22 ' A' ' 85' ' ' ILE . 2.2 ptt? -138.98 151.31 46.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -122.62 144.74 48.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -103.93 113.08 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.688 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 123.33 29.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.41 152.89 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.88 -25.25 63.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -139.34 -42.37 0.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -165.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -110.99 -177.85 3.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -74.15 139.04 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -109.58 98.87 34.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.774 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.74 146.26 53.66 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.556 2.171 . . . . 0.0 112.409 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 73' ' ' MET . 11.3 tt -150.39 136.38 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.998 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -130.9 117.96 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.751 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.684 ' C ' HD12 ' A' ' 70' ' ' LEU . . . -138.58 135.92 7.72 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.953 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.583 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -89.44 125.3 35.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.775 179.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' HA3' HG22 ' A' ' 109' ' ' THR . . . -109.51 146.38 16.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 24.0 t90 -121.34 111.98 18.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.318 . . . . 0.0 110.718 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.96 147.84 52.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -95.49 132.87 40.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 m -91.39 131.87 36.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -146.05 147.58 31.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -124.01 143.18 41.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.47 -176.14 2.6 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.478 2.119 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.25 -31.21 10.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.92 -30.32 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.054 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -127.65 152.13 48.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -109.26 -31.18 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.446 ' HB2' ' CE2' ' A' ' 134' ' ' TYR . 4.3 m-80 -83.0 -26.16 31.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 133' ' ' GLY . 2.5 t80 -56.21 116.53 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -92.52 136.34 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.824 HD23 HG12 ' A' ' 132' ' ' VAL . 1.3 mt -142.77 148.47 37.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.65 165.12 34.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.65 152.12 28.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.779 0.323 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.19 -164.59 37.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -116.05 170.76 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.792 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.431 HG22 ' HA3' ' A' ' 89' ' ' GLY . 22.9 p -146.29 112.73 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.001 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.763 ' HB2' ' CD1' ' A' ' 126' ' ' LEU . . . -111.21 132.24 54.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.408 ' HA2' ' HA2' ' A' ' 87' ' ' GLY . . . -146.44 171.45 27.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.84 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.85 124.51 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 85' ' ' ILE . 1.8 t -103.79 133.99 47.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.582 ' HB2' ' CA ' ' A' ' 122' ' ' PRO . . . -156.68 166.17 34.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.291 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.409 ' HG3' ' CB ' ' A' ' 120' ' ' TYR . 0.0 OUTLIER -158.0 141.02 14.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.933 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.08 -85.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 173.98 -80.31 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.73 0.3 . . . . 0.0 111.016 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -86.37 81.13 8.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.959 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 172.06 -38.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.409 ' CB ' ' HG3' ' A' ' 115' ' ' ARG . 0.7 OUTLIER -143.38 72.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.422 179.596 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.522 ' H ' HD12 ' A' ' 121' ' ' ILE . 3.7 mp -65.38 139.32 97.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.582 ' CA ' ' HB2' ' A' ' 114' ' ' ALA . 87.1 Cg_exo -47.35 107.18 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.63 2.22 . . . . 0.0 112.675 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.598 HD23 ' HD2' ' A' ' 124' ' ' PRO . 0.2 OUTLIER -105.56 129.94 23.87 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.629 179.717 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.598 ' HD2' HD23 ' A' ' 123' ' ' LEU . 56.5 Cg_endo -70.41 146.0 54.94 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.496 2.131 . . . . 0.0 112.535 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 125' ' ' VAL . 13.6 p -150.0 116.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.993 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.763 ' CD1' ' HB2' ' A' ' 110' ' ' ALA . 5.1 tp -111.06 134.42 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.05 146.56 20.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.21 128.92 14.36 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.59 2.193 . . . . 0.0 112.282 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.611 HD21 ' CG ' ' A' ' 140' ' ' GLN . 1.1 tt -133.8 151.38 51.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.971 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.554 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -136.97 159.3 42.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m -132.29 114.25 14.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.824 HG12 HD23 ' A' ' 104' ' ' LEU . 31.0 m -144.99 125.05 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.405 ' O ' ' CD1' ' A' ' 102' ' ' PHE . . . -168.94 -142.18 3.44 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.46 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.446 ' CE2' ' HB2' ' A' ' 101' ' ' ASN . 13.3 t80 -166.05 128.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.764 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.36 -132.18 30.1 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.543 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -85.1 14.03 2.6 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.703 2.269 . . . . 0.0 113.215 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.5 m -126.43 116.49 45.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.814 0.34 . . . . 0.0 111.242 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.98 119.81 29.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -79.76 143.73 34.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.611 ' CG ' HD21 ' A' ' 129' ' ' LEU . 5.1 tt0 -106.6 135.59 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.9 130.12 50.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.1 m -127.38 140.28 52.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 143' ' ' TYR . 3.0 m-85 -115.92 113.32 23.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.8 mt -113.44 92.26 22.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.63 149.39 73.73 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.543 2.162 . . . . 0.0 112.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -113.43 -61.92 0.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.534 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 6.8 t -137.47 35.45 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -157.52 -176.3 5.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -105.27 -10.77 16.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.334 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.31 27.04 3.93 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.764 0.316 . . . . 0.0 111.186 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 63.53 170.02 1.51 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.536 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -129.41 -67.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 33' ' ' TRP . 12.2 p -109.49 134.82 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -114.27 137.55 51.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -114.95 143.97 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.543 ' HB3' HG12 ' A' ' 31' ' ' ILE . . . -122.34 123.18 40.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -118.46 167.11 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.3 mtp -105.3 138.56 41.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.424 ' HD2' ' CZ ' ' A' ' 27' ' ' TYR . 1.8 ttp180 -122.95 116.46 23.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . 0.485 ' HB3' HD13 ' A' ' 26' ' ' LEU . 2.2 m-85 -109.01 146.97 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.431 ' NE2' HD23 ' A' ' 163' ' ' LEU . 3.5 tt0 -100.39 117.35 34.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.693 ' HB2' HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -122.55 140.78 52.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.632 HD13 HE22 ' A' ' 16' ' ' GLN . 1.1 pp -150.32 120.24 7.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 59.76 168.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 18.0 m170 60.32 84.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -128.07 49.34 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.0 35.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.86 -45.05 11.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -79.34 -56.25 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 18.3 m170 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.918 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.811 0.338 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -178.36 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.14 -56.11 4.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.765 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.97 -28.81 60.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.7 -33.54 71.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -29.97 44.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -58.61 -33.15 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m -80.01 -31.09 39.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 m -75.42 -33.75 60.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.97 -35.29 59.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -64.63 -31.84 73.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.32 -32.33 70.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.44 -56.99 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.485 HG23 ' N ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -58.87 -44.28 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -63.97 -28.23 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -70.16 -46.56 64.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -73.79 -30.92 63.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -30.15 45.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -86.23 -37.7 18.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -105.21 89.46 3.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.45 -174.58 0.87 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.593 2.195 . . . . 0.0 112.214 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 62.68 146.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -139.49 176.19 8.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -106.51 98.0 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.68 162.49 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.81 129.45 36.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.447 ' O ' HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -97.67 120.06 37.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 27' ' ' TYR . 26.3 mm -128.93 138.98 34.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -52.08 150.33 19.14 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.53 2.154 . . . . 0.0 112.297 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 31' ' ' ILE . . . -120.78 -75.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.71 HG13 ' HB3' ' A' ' 156' ' ' ALA . 2.0 pt -154.85 123.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.7 p -111.59 143.96 41.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.11 122.04 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -115.42 150.03 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.21 126.49 27.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -100.19 30.74 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -30.3 66.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.85 129.04 45.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.17 85.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -86.85 113.42 22.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -172.59 36.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -130.72 77.57 1.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt 60.49 89.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -107.03 -60.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -108.66 86.8 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -141.58 -48.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -152.11 35.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -103.28 145.29 30.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -89.79 132.74 35.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -98.62 151.35 37.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.28 102.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.555 2.17 . . . . 0.0 112.291 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -67.73 115.83 7.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.79 -179.29 35.46 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.59 159.71 11.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.12 -175.81 21.86 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.607 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -132.69 174.11 10.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.301 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.81 132.95 4.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.614 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -108.63 123.05 48.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.814 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t -85.33 155.67 21.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -154.77 155.41 34.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.778 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.5 m-90 -113.14 136.61 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.79 136.9 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -52.86 -24.42 9.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.394 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -94.3 34.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.48 44.66 85.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.446 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.97 161.07 19.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 111.137 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.48 112.94 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.732 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.97 163.11 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.72 159.88 26.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.684 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.77 HD21 ' HB1' ' A' ' 86' ' ' ALA . 7.4 tt -99.27 166.0 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.608 0.242 . . . . 0.0 110.709 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.751 ' N ' HD23 ' A' ' 70' ' ' LEU . 18.4 p90 -148.89 118.93 7.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 110.979 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -97.15 110.02 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.4 ttm -110.92 121.92 46.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.85 130.02 56.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -128.96 126.29 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -94.51 145.18 24.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -111.15 170.51 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -59.71 -30.46 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -166.64 41.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -134.0 26.01 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm 56.62 -165.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 12.8 p-90 -101.92 144.16 30.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.788 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.82 102.64 54.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -79.7 153.88 23.3 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.566 2.178 . . . . 0.0 112.214 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.442 HG12 HG23 ' A' ' 113' ' ' THR . 25.1 mt -149.56 119.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.77 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -116.99 117.82 30.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.428 ' O ' ' CE2' ' A' ' 71' ' ' TYR . . . -134.85 144.61 16.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.785 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.695 ' CE2' HD12 ' A' ' 70' ' ' LEU . 75.9 m-85 -95.52 124.65 39.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.761 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.54 129.7 9.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.8 m-90 -107.67 112.06 24.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.81 0.338 . . . . 0.0 110.737 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -132.49 153.47 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.002 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.73 120.81 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.5 p -90.09 137.8 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.956 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -145.99 123.12 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.26 132.2 25.98 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.33 -168.01 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.456 2.104 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.3 -28.9 11.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.87 -44.87 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.9 165.58 32.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -96.11 -36.5 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -60.0 -30.83 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.07 91.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -92.24 120.23 32.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.75 117.31 32.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -128.35 138.51 10.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.435 HD23 ' HB2' ' A' ' 130' ' ' ALA . 3.6 mt -146.0 140.46 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 169.3 -153.82 22.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.589 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 108' ' ' PHE . 7.1 m-85 -129.47 171.05 12.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.805 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.758 HG21 HD21 ' A' ' 129' ' ' LEU . 36.9 p -145.76 142.96 29.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.921 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -142.25 135.81 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -144.73 174.8 24.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.633 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.426 HG21 ' CB ' ' A' ' 122' ' ' PRO . 11.7 p -127.99 139.55 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.442 HG23 HG12 ' A' ' 85' ' ' ILE . 47.1 m -103.71 142.48 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -97.25 126.71 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -146.35 133.36 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -96.33 41.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -65.99 -32.08 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -136.34 -56.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -165.13 49.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 60.86 69.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.56 HD13 ' C ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -93.68 119.87 66.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.52 ' N ' HD13 ' A' ' 121' ' ' ILE . 59.1 Cg_endo -71.86 120.13 6.66 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.395 2.063 . . . . 0.0 112.365 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.3 mt -103.39 92.13 3.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.93 154.27 71.17 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.47 2.113 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.19 152.03 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.921 HD22 ' HB2' ' A' ' 110' ' ' ALA . 0.3 OUTLIER -140.98 120.96 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.541 ' N ' HD13 ' A' ' 126' ' ' LEU . 3.8 pp -149.97 136.35 10.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.18 153.05 36.02 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.51 2.14 . . . . 0.0 112.305 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.758 HD21 HG21 ' A' ' 109' ' ' THR . 4.2 pp -168.17 162.31 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.072 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.435 ' HB2' HD23 ' A' ' 106' ' ' LEU . . . -125.57 158.68 33.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.0 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.5 t -128.46 143.81 51.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.01 116.06 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.09 149.36 18.39 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.625 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.41 ' O ' HG12 ' A' ' 137' ' ' VAL . 29.4 t80 -154.67 111.96 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.5 -133.42 51.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.066 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -88.23 24.36 0.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.75 2.3 . . . . 0.0 112.884 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 134' ' ' TYR . 11.5 p -142.09 140.95 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.871 0.367 . . . . 0.0 111.22 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 80.2 m -125.13 128.29 48.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.74 144.0 37.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.448 HE22 HG22 ' A' ' 142' ' ' THR . 0.0 OUTLIER -138.58 123.8 19.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 1.1 tpp -108.85 142.86 38.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.448 HG22 HE22 ' A' ' 140' ' ' GLN . 16.4 p -123.02 151.99 41.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . 0.415 ' CE1' ' HB3' ' A' ' 154' ' ' TYR . 3.2 m-85 -136.56 121.82 19.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.526 HD12 ' HD2' ' A' ' 145' ' ' PRO . 6.6 tp -106.26 129.9 23.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' A' ' 144' ' ' ILE . 51.4 Cg_exo -52.84 158.41 6.38 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.444 2.096 . . . . 0.0 112.303 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -163.61 38.29 0.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.571 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.7 m 59.46 31.5 21.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.54 141.93 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -79.84 -31.13 40.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -98.24 26.98 4.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 73.39 168.36 14.54 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -127.17 -57.02 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.405 HG23 ' CG2' ' A' ' 144' ' ' ILE . 6.0 m -147.44 146.48 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.415 ' HB3' ' CE1' ' A' ' 143' ' ' TYR . 7.0 p90 -132.39 142.99 49.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -112.68 134.56 54.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.71 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -98.84 155.46 17.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -154.07 141.88 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 12.7 mtp -92.17 154.2 18.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -139.58 120.11 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -113.44 139.26 49.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -102.54 115.58 30.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -115.4 130.19 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.94 138.44 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.25 140.94 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -144.72 171.51 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -129.93 -53.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . 0.432 ' CE1' ' CE1' ' A' ' 169' ' ' HIS . 1.2 t-160 57.8 93.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -52.72 64.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.432 ' CE1' ' CE1' ' A' ' 167' ' ' HIS . 1.5 m80 64.89 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.908 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 tpp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.29 -40.0 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.24 -56.11 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.43 . . . . 0.0 110.741 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.32 -28.84 63.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.523 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.69 -31.07 68.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -42.94 99.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 mtt -63.03 -44.3 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -64.0 -31.66 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.0 m -68.69 -31.38 70.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CE2' HD11 ' A' ' 14' ' ' ILE . 36.0 t80 -72.76 -36.09 67.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -59.55 -31.18 69.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.96 -30.72 69.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -74.91 -36.38 62.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.414 HD11 ' CE2' ' A' ' 10' ' ' PHE . 34.6 mm -68.36 -50.54 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.18 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.94 -30.56 70.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -45.43 70.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 t -74.2 -31.54 62.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -68.06 -35.4 78.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -89.74 -61.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -112.6 164.35 15.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.783 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.82 -177.27 0.91 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.539 2.159 . . . . 0.0 112.297 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.58 -60.79 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -140.73 149.91 42.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.37 116.14 31.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.71 119.43 39.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.79 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.9 143.22 26.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -138.78 122.41 17.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.643 HD13 ' N ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -155.82 152.94 25.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.83 158.21 58.33 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.329 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.93 -76.06 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 2.9 pp -153.54 159.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.616 HG22 ' HA ' ' A' ' 155' ' ' PHE . 15.8 p -142.53 117.11 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -143.62 157.02 44.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -85.55 124.93 32.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.429 ' HB3' ' HE2' ' A' ' 154' ' ' TYR . . . -101.98 93.04 5.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -130.09 -64.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -162.51 -69.03 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.11 130.17 46.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -63.84 84.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -106.7 144.53 33.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.92 -43.5 68.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 78.16 -55.75 0.49 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.088 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.79 -43.2 4.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.39 93.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -86.23 132.9 33.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -89.46 -53.29 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -86.69 118.83 26.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -99.4 146.41 26.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -129.54 126.63 39.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -116.0 88.35 21.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.442 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 51.4 Cg_endo -69.43 168.53 20.84 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.506 2.137 . . . . 0.0 112.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -104.53 144.32 31.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 163.62 158.11 9.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.05 150.43 22.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.468 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -113.55 135.95 12.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.578 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.724 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 12.4 m-85 -152.13 119.08 5.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.695 0.284 . . . . 0.0 110.603 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.41 178.09 16.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.703 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 59' ' ' SER . 0.9 OUTLIER -117.1 141.59 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.798 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -90.26 153.79 20.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.99 100.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.718 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -99.84 164.03 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -110.58 152.62 26.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.786 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -55.9 -20.72 16.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.544 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -90.37 35.04 0.87 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.686 0.279 . . . . 0.0 111.269 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.62 53.54 40.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.629 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -121.62 145.86 47.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -118.74 113.42 21.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -134.02 156.03 48.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.07 169.01 40.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.608 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.606 HD11 ' CE2' ' A' ' 88' ' ' TYR . 2.7 mp -104.11 166.06 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.666 0.27 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -129.4 118.82 22.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -108.66 109.83 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.758 ' HB3' HD12 ' A' ' 85' ' ' ILE . 1.3 ttp -118.08 144.23 45.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.06 129.94 38.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.92 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -119.06 112.98 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.995 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -99.84 111.56 23.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -69.86 -177.07 1.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -86.39 -20.34 28.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.207 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.95 30.09 0.31 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 0.0 110.733 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.77 -163.66 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.671 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -98.51 176.84 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 27.8 p90 -82.07 151.25 27.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -114.93 98.98 51.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.35 150.42 36.67 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.555 2.17 . . . . 0.0 112.322 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.758 HD12 ' HB3' ' A' ' 73' ' ' MET . 32.2 mt -143.97 139.24 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.621 ' O ' HG22 ' A' ' 112' ' ' VAL . . . -138.3 117.8 12.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.674 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.401 ' HA2' ' HA2' ' A' ' 111' ' ' GLY . . . -130.95 -170.44 12.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.627 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.606 ' CE2' HD11 ' A' ' 70' ' ' LEU . 56.6 m-85 -145.48 121.81 10.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.788 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -106.15 148.08 16.38 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.438 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -145.76 121.36 10.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -149.53 167.82 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 m -121.42 105.86 10.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.8 p -107.21 127.44 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -129.54 161.7 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 155.14 48.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.34 175.52 7.65 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.59 2.193 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.04 -30.78 69.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.54 -31.07 69.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.98 96.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -150.24 -178.17 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -60.53 -33.04 72.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.51 127.12 29.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -143.85 144.23 31.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.611 ' HG ' HG22 ' A' ' 132' ' ' VAL . 0.6 OUTLIER -133.89 140.32 46.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -156.89 174.2 34.54 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.56 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.771 HD23 ' HB2' ' A' ' 130' ' ' ALA . 12.1 mt -144.96 138.47 26.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -163.42 -158.75 10.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.579 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -133.09 123.5 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.412 ' HB ' HD13 ' A' ' 129' ' ' LEU . 79.2 m -97.73 109.19 21.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -115.72 164.24 14.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.401 ' HA2' ' HA2' ' A' ' 87' ' ' GLY . . . -178.79 166.74 36.65 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.647 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.772 HG12 ' HA ' ' A' ' 124' ' ' PRO . 27.2 m -119.8 165.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.91 148.42 44.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.99 121.9 17.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.84 149.76 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -107.55 140.83 39.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -148.24 -59.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -122.16 -45.91 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -168.31 -43.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.02 56.24 0.3 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 mt -104.51 92.92 5.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.33 162.99 40.6 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.575 2.183 . . . . 0.0 112.347 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.0 tp -102.09 96.83 7.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.772 ' HA ' HG12 ' A' ' 112' ' ' VAL . 54.7 Cg_endo -69.81 147.03 61.68 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.524 2.149 . . . . 0.0 112.394 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.01 125.99 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.16 137.86 38.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.657 HD12 HG23 ' A' ' 142' ' ' THR . 0.1 OUTLIER -149.97 116.91 3.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.604 ' HD2' HD13 ' A' ' 127' ' ' LEU . 15.0 Cg_exo -68.6 128.48 17.17 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.532 2.155 . . . . 0.0 112.124 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.537 HD11 HG23 ' A' ' 142' ' ' THR . 2.9 mp -142.44 162.03 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.771 ' HB2' HD23 ' A' ' 106' ' ' LEU . . . -131.23 161.32 32.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 m -118.57 119.77 35.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.611 HG22 ' HG ' ' A' ' 104' ' ' LEU . 21.7 t -145.02 115.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -172.17 -149.6 6.77 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.432 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.468 ' O ' HG22 ' A' ' 137' ' ' VAL . 53.6 p90 -169.67 120.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.765 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.55 -132.35 29.68 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.706 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.73 -4.67 15.16 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.866 2.377 . . . . 0.0 113.516 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 134' ' ' TYR . 5.2 m -109.04 119.58 58.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.4 m -125.09 108.92 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -101.48 114.47 28.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.811 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -109.6 145.97 35.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.37 148.67 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.696 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.657 HG23 HD12 ' A' ' 127' ' ' LEU . 61.0 m -123.36 152.02 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.7 122.53 33.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.615 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.636 ' N ' HD12 ' A' ' 144' ' ' ILE . 3.3 mp -108.48 91.87 9.12 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.17 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.33 150.0 28.32 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.554 2.169 . . . . 0.0 112.221 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -172.7 75.68 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.577 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 90.1 m 64.32 -76.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.693 0.282 . . . . 0.0 111.063 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -170.77 -66.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -60.95 -43.11 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -97.94 27.15 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -153.32 98.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.541 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 174.55 40.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.628 HG23 HD13 ' A' ' 144' ' ' ILE . 13.9 m -123.21 152.97 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.429 ' HE2' ' HB3' ' A' ' 35' ' ' ALA . 2.3 m-85 -123.63 125.23 44.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.616 ' HA ' HG22 ' A' ' 32' ' ' THR . 0.3 OUTLIER -104.04 122.72 45.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -96.69 140.74 30.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.433 ' HE1' ' HG1' ' A' ' 142' ' ' THR . 24.3 m95 -136.6 158.52 44.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -120.52 141.31 50.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -134.37 126.2 29.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.27 128.72 53.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.33 120.2 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.28 175.05 8.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 tp -125.17 144.32 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.18 78.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -176.29 104.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -133.32 -75.02 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -134.42 148.16 50.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 168' ' ' HIS . 1.6 p80 -148.72 145.35 27.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -77.14 140.36 40.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 17.1 m170 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.885 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.875 0.369 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -133.17 -174.92 3.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.38 -56.05 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.722 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.06 -28.69 62.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.636 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.98 -40.48 66.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -30.81 65.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 ttt -75.76 -33.72 60.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -53.56 56.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -64.86 -31.41 72.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.473 ' HE1' HD11 ' A' ' 14' ' ' ILE . 7.6 t80 -64.74 -31.0 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -57.21 -36.39 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.76 -40.43 95.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -64.09 -34.66 78.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.662 HG22 ' CD1' ' A' ' 18' ' ' TRP . 31.9 mm -70.52 -34.12 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.062 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.15 83.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.072 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -65.89 -47.93 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.5 p -60.37 -35.26 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.662 ' CD1' HG22 ' A' ' 14' ' ' ILE . 2.2 m95 -60.12 -52.3 65.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -164.94 80.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.76 111.06 47.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -51.76 138.1 50.59 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.421 2.081 . . . . 0.0 112.405 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -155.16 78.38 1.03 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -90.69 149.55 22.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -103.91 105.2 15.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.14 134.02 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.61 147.82 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' O ' HG23 ' A' ' 28' ' ' ILE . 8.0 m-85 -138.99 135.09 33.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 27' ' ' TYR . 3.6 pt -156.02 132.92 6.27 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.69 166.63 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.471 2.114 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.73 -63.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 156' ' ' ALA . 27.3 mt -136.03 124.37 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.7 t -123.3 163.14 21.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -86.04 121.98 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.3 131.08 34.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.68 168.29 9.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.32 -28.21 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -84.41 56.96 4.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.03 -175.94 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -73.77 85.39 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -124.43 126.62 46.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -123.19 -74.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -168.08 -59.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 32.61 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.07 31.8 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -121.45 76.87 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.99 -60.03 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.65 160.18 42.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -74.87 165.02 25.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.07 157.83 16.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.87 89.67 8.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.71 155.37 5.59 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.544 2.163 . . . . 0.0 112.352 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.16 30.34 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.09 155.06 39.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -118.83 147.86 18.41 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.0 146.37 17.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.625 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -152.18 166.45 31.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.771 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.701 ' C ' HD22 ' A' ' 58' ' ' LEU . . . -158.99 157.57 28.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.726 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.701 HD22 ' C ' ' A' ' 57' ' ' GLY . 2.9 mm? -127.08 146.99 50.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.75 150.72 20.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.026 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -159.47 160.93 35.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.745 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -126.08 137.45 53.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.29 136.99 37.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -52.99 -22.68 5.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.556 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -90.4 35.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.666 0.27 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 53.03 43.62 62.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.628 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -122.03 161.06 23.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 111.043 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.13 125.18 49.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -118.38 159.92 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.42 130.38 2.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.9 163.42 22.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.668 0.27 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 4.3 m-85 -119.98 118.78 31.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.604 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 85' ' ' ILE . . . -122.53 109.85 14.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.477 ' O ' HD12 ' A' ' 85' ' ' ILE . 2.2 mtt -143.48 169.88 16.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 111.247 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.32 129.96 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -106.62 114.17 28.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.999 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.14 98.31 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.844 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.63 179.76 5.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.7 m -80.57 -2.89 48.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.371 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -135.77 -47.53 0.67 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -60.66 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.811 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -125.93 165.38 18.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -66.84 132.14 47.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -132.98 98.85 15.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.568 ' HG2' ' HB3' ' A' ' 114' ' ' ALA . 59.0 Cg_endo -71.88 156.45 56.58 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.451 2.101 . . . . 0.0 112.281 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 73' ' ' MET . 4.2 mp -137.38 127.6 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -138.25 117.68 12.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.569 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.18 -156.09 7.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.929 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -157.04 138.29 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.741 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.66 155.88 17.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.583 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -115.83 116.82 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -145.72 168.08 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -129.87 113.23 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 p -95.15 135.69 36.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -135.4 113.95 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -96.72 133.96 23.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.48 88.41 1.17 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.52 2.147 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.5 mt -59.48 -27.14 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.66 72.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.207 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -167.89 166.81 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 63.24 141.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.415 ' HB2' ' CE1' ' A' ' 134' ' ' TYR . 3.7 m120 -94.04 5.12 52.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.407 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.36 114.36 2.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -93.95 135.96 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.3 tp -116.1 154.24 30.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -165.82 139.07 5.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.1 mt -137.72 139.5 40.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 168.9 -172.0 43.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.58 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -117.32 171.01 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.444 HG21 HD21 ' A' ' 129' ' ' LEU . 27.9 p -137.99 117.98 13.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.18 116.85 21.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.55 158.85 27.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.4 m -101.68 145.06 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 48.4 p -112.91 133.17 55.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.568 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . . . -81.95 126.52 32.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -136.72 170.15 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.93 117.06 28.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.49 -62.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.81 -38.19 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -165.89 -56.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -176.41 58.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 pt -86.76 108.23 17.4 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.643 ' O ' HD22 ' A' ' 123' ' ' LEU . 45.6 Cg_endo -68.38 161.07 46.39 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.456 2.104 . . . . 0.0 112.337 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 122' ' ' PRO . 4.1 mm? -131.68 100.12 16.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.39 148.19 73.09 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.407 2.071 . . . . 0.0 112.281 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.98 119.93 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.81 129.72 56.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.98 129.46 6.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.543 ' HD2' HG22 ' A' ' 144' ' ' ILE . 74.0 Cg_endo -75.46 130.06 12.49 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.496 2.13 . . . . 0.0 112.426 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 109' ' ' THR . 3.6 pp -150.3 171.39 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -131.29 164.76 24.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.7 m -120.29 129.13 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.05 115.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -133.89 177.94 18.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.682 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.444 ' O ' HG12 ' A' ' 137' ' ' VAL . 0.3 OUTLIER -165.89 122.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.613 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 66.4 -134.84 33.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.382 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -86.56 20.87 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.773 2.315 . . . . 0.0 112.967 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 134' ' ' TYR . 9.4 p -136.57 137.0 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 42.9 m -124.99 145.1 50.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -130.67 143.84 51.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -135.26 122.1 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 8.0 mtt -115.08 146.79 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.021 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 8.9 t -133.32 133.56 42.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.79 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . 0.425 ' HB3' ' CE1' ' A' ' 154' ' ' TYR . 13.6 p90 -135.9 133.53 37.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.041 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.543 HG22 ' HD2' ' A' ' 128' ' ' PRO . 2.3 pt -121.4 91.99 48.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.66 121.95 8.83 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.555 2.17 . . . . 0.0 112.404 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -122.68 -37.42 0.63 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.549 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 4.3 m 63.53 52.78 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.11 177.87 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -59.03 -31.61 68.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -112.58 27.0 10.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.05 172.87 14.74 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 59.81 76.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.65 136.1 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 143' ' ' TYR . 2.5 m-85 -112.43 147.0 37.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.783 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.07 121.09 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -103.17 126.17 50.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.048 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -130.91 128.56 40.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 28.0 mtp -83.01 149.91 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.414 ' HB2' ' CE1' ' A' ' 27' ' ' TYR . 10.4 ttm180 -140.06 148.79 42.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -128.99 146.69 50.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -101.16 124.37 46.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -138.76 121.94 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.48 150.23 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -176.41 102.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -62.68 172.73 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -141.64 -64.56 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.81 37.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -100.8 -39.79 7.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -103.82 -45.31 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 tmm? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.832 0.349 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -148.76 31.08 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.29 -56.15 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -75.99 -28.89 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.75 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -59.51 -32.33 70.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -79.02 -37.18 39.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 42.2 mtp -66.73 -41.86 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 p -60.48 -32.76 71.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -73.66 -39.63 64.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -67.58 -36.06 80.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' HA ' HG22 ' A' ' 14' ' ' ILE . 3.6 mtm180 -77.45 -37.95 50.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.13 -39.91 90.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.16 -51.69 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 10' ' ' PHE . 19.2 tt -61.56 -43.18 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.06 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -64.37 -35.18 80.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -66.86 -52.24 45.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -59.91 -35.77 75.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -71.44 -42.43 68.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -63.4 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.57 126.57 80.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.11 118.41 5.41 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.411 2.074 . . . . 0.0 112.266 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.648 ' HG3' HD22 ' A' ' 58' ' ' LEU . 2.8 tt0 -168.99 90.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -97.47 174.09 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -116.04 99.8 7.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.13 122.65 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.664 HD23 ' H ' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -92.03 149.95 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.664 ' H ' HD23 ' A' ' 26' ' ' LEU . 47.7 m-85 -137.18 120.31 16.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HD2' ' A' ' 29' ' ' PRO . 3.2 tp -144.0 134.23 11.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD2' HD12 ' A' ' 28' ' ' ILE . 54.5 Cg_endo -69.49 159.81 52.19 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.462 2.108 . . . . 0.0 112.322 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.39 -52.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.665 ' HB ' ' HB3' ' A' ' 156' ' ' ALA . 28.5 mm -112.22 131.45 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.1 p -150.14 148.41 28.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -108.7 134.31 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -96.42 130.86 43.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.85 163.43 4.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -151.91 -46.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -97.25 39.49 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.64 -170.15 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.33 86.54 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -113.99 121.97 45.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -150.23 -67.58 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -95.34 -28.3 15.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -56.15 25.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m 59.86 94.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.47 128.9 43.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -178.19 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.78 80.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -118.08 159.03 23.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.92 150.77 51.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -156.48 88.64 2.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.56 142.75 49.67 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.606 2.204 . . . . 0.0 112.266 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 61.78 156.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.28 96.39 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.416 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.7 151.85 20.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.537 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.4 136.79 13.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.529 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 29.7 p90 -152.09 125.2 8.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.42 -165.21 12.46 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.558 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.648 HD22 ' HG3' ' A' ' 22' ' ' GLU . 2.0 pp -142.16 170.09 16.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.445 ' CB ' ' CH2' ' A' ' 67' ' ' TRP . 79.1 p -163.46 174.39 11.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -153.77 163.51 39.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -106.72 140.58 39.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -95.03 140.1 30.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -22.92 13.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.437 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -92.99 35.05 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.51 50.22 64.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.594 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.89 159.59 26.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.445 ' CH2' ' CB ' ' A' ' 59' ' ' SER . 4.0 t90 -136.85 108.58 7.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 5.7 p80 -134.13 152.07 51.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.76 164.19 30.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mt -102.17 165.98 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.701 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 12.5 m-85 -139.12 118.7 13.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.759 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 56' ' ' PHE . . . -101.43 109.89 21.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.44 ' O ' HG22 ' A' ' 85' ' ' ILE . 1.1 mpp? -114.77 137.23 52.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.741 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.76 131.84 53.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -126.15 117.4 23.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.799 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -95.81 129.93 42.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.11 179.65 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 m -76.37 -30.95 57.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -36.02 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.53 118.77 32.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -165.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -55.5 124.44 17.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -106.17 98.88 20.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.63 150.94 28.23 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.563 2.176 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.523 HD12 ' OG1' ' A' ' 113' ' ' THR . 2.0 tt -153.76 124.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.185 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -115.04 117.91 31.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA2' ' CA ' ' A' ' 111' ' ' GLY . . . -122.62 135.93 10.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.504 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.413 ' CE1' ' HB2' ' A' ' 68' ' ' HIS . 4.3 t80 -92.02 110.03 21.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -96.24 125.78 8.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.443 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -120.95 112.01 18.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -140.36 155.17 46.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -95.06 133.19 39.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.1 146.08 27.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -143.81 143.09 31.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -96.27 104.08 16.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.422 ' HB3' HD12 ' A' ' 104' ' ' LEU . 46.8 Cg_endo -68.69 -172.81 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.386 2.057 . . . . 0.0 112.338 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -48.51 81.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.606 ' HB3' ' CB ' ' A' ' 102' ' ' PHE . . . -59.42 -51.82 68.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.4 t0 59.73 175.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 64.93 -75.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -88.62 -50.97 5.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.606 ' CB ' ' HB3' ' A' ' 98' ' ' ALA . 0.3 OUTLIER -74.04 134.95 43.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.35 155.94 46.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.968 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.526 ' CD2' HG23 ' A' ' 132' ' ' VAL . 11.1 mt -139.33 163.0 33.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.26 159.06 28.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.53 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.2 OUTLIER -149.45 140.19 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.939 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.636 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 176.17 -160.53 28.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 1.3 m-85 -125.35 163.67 22.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 51.4 m -139.33 112.57 8.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.513 ' HB1' ' CD2' ' A' ' 126' ' ' LEU . . . -119.06 129.25 55.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.404 ' CA ' ' HA2' ' A' ' 87' ' ' GLY . . . -145.38 -179.24 21.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.734 HG12 ' HA ' ' A' ' 124' ' ' PRO . 14.8 m -141.99 150.44 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 0.0 111.077 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.523 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -98.98 127.21 44.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.912 ' HB1' ' HA ' ' A' ' 118' ' ' TRP . . . -105.49 138.11 42.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 -153.66 167.49 29.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.5 t70 69.04 -67.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.913 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -137.44 25.72 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.912 ' HA ' ' HB1' ' A' ' 114' ' ' ALA . 0.0 OUTLIER 58.04 34.55 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.008 179.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 176.13 -32.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.188 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -45.51 -42.16 10.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.574 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.5 OUTLIER -136.81 92.79 14.26 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 111.384 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.23 151.03 15.68 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.604 2.203 . . . . 0.0 112.245 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.74 86.92 42.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.734 ' HA ' HG12 ' A' ' 112' ' ' VAL . 30.9 Cg_exo -61.61 140.0 84.31 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.646 2.23 . . . . 0.0 112.211 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.476 HG12 ' CD2' ' A' ' 127' ' ' LEU . 21.3 t -150.05 116.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.513 ' CD2' ' HB1' ' A' ' 110' ' ' ALA . 7.9 mt -113.02 123.37 50.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 125' ' ' VAL . 0.5 OUTLIER -150.05 137.22 11.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 71.0 Cg_endo -74.5 143.46 30.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.501 2.134 . . . . 0.0 112.409 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.811 HD22 ' HG2' ' A' ' 140' ' ' GLN . 4.2 mt -137.9 155.21 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -139.05 139.83 37.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.4 t -104.67 114.23 28.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.526 HG23 ' CD2' ' A' ' 104' ' ' LEU . 11.8 p -144.99 123.02 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 160.22 -140.85 7.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.529 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -119.22 152.57 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.277 . . . . 0.0 110.646 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.492 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -43.55 -50.81 6.83 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.046 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 57.5 Cg_endo -71.97 -26.9 18.04 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.423 2.082 . . . . 0.0 112.778 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.631 ' O ' HG13 ' A' ' 137' ' ' VAL . 8.3 p -142.02 97.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.0 0.428 . . . . 0.0 111.239 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.558 HG23 ' HB2' ' A' ' 159' ' ' ARG . 1.6 t -97.64 144.85 26.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.588 ' CE1' ' HB1' ' A' ' 156' ' ' ALA . 2.2 t80 -104.79 119.21 38.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.811 ' HG2' HD22 ' A' ' 129' ' ' LEU . 1.9 tt0 -108.28 114.02 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . 0.696 ' O ' HD23 ' A' ' 129' ' ' LEU . 0.2 OUTLIER -106.42 138.83 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 155' ' ' PHE . 1.2 t -119.57 147.62 44.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.65 105.98 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.963 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.29 130.13 23.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.86 140.04 31.31 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.446 2.097 . . . . 0.0 112.348 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -99.68 -47.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.441 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.13 -49.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -94.29 -178.66 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -86.12 -2.92 58.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.424 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -96.15 27.02 3.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.684 0.278 . . . . 0.0 111.077 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 59.77 170.9 0.46 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -145.15 -47.46 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.6 m -138.28 136.68 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -123.15 142.25 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.405 ' O ' HG22 ' A' ' 142' ' ' THR . 45.8 m-85 -108.38 141.82 39.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.665 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . . . -114.94 125.76 54.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 24.4 m0 -131.02 144.6 51.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -103.03 153.14 20.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.558 ' HB2' HG23 ' A' ' 138' ' ' THR . 54.6 mtm180 -130.92 140.01 50.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -112.13 139.27 47.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -89.94 118.37 29.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.59 140.83 51.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.15 122.89 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 59.96 173.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 155.88 41.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.55 -41.43 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -75.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -74.44 176.68 6.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -131.78 34.91 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.24 -0.885 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -113.23 -18.02 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.17 -56.16 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.012 0.434 . . . . 0.0 110.811 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.45 -28.86 61.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.588 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -71.25 -29.3 64.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -31.23 71.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtt -71.75 -55.87 6.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.974 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -59.31 -31.3 69.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -67.02 -48.18 69.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.562 ' O ' HG22 ' A' ' 14' ' ' ILE . 67.2 t80 -60.22 -36.76 78.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -67.79 -41.39 83.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.66 -31.68 52.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -68.43 -53.78 21.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 10' ' ' PHE . 7.5 tp -60.42 -35.47 63.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.91 -35.09 64.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.66 -34.71 74.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.518 HG21 HH11 ' A' ' 60' ' ' ARG . 47.6 p -73.16 -31.65 64.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -73.32 -31.51 64.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -72.68 -44.91 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -151.66 88.32 4.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.72 165.4 0.75 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.542 2.161 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -65.73 -47.02 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -173.8 161.47 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.92 149.02 23.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -125.52 130.24 51.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.24 126.86 53.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -112.77 128.82 56.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.5 pt -149.47 147.63 23.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.98 111.92 3.28 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.595 2.197 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 158' ' ' MET . . . -90.19 -61.34 1.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.7 pt -155.05 162.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 t -138.48 169.98 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -86.24 123.09 31.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -118.02 128.61 54.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.92 134.35 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.16 100.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.38 27.35 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.14 -170.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.22 83.96 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.03 110.85 22.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.02 81.23 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -126.68 -49.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.703 ' O ' HG23 ' A' ' 44' ' ' THR . 15.3 tttm -138.99 -73.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -178.35 -72.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.836 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -99.8 -26.87 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 69.17 -68.82 0.17 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.63 126.69 53.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -93.66 157.35 16.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -123.14 158.68 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -111.12 91.43 13.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.09 149.29 76.65 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.492 2.128 . . . . 0.0 112.258 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -142.94 34.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.03 179.48 17.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.594 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.94 164.94 22.43 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.393 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.01 158.05 27.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.676 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -151.97 147.07 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.06 -157.26 8.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.5 mt -135.99 178.24 7.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -133.72 168.68 18.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.518 HH11 HG21 ' A' ' 17' ' ' THR . 30.6 mtp85 -156.35 148.93 23.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -100.24 127.77 46.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.58 136.83 32.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.84 -23.49 12.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.403 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -92.95 34.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.776 0.322 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 56.34 40.8 86.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.53 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.05 157.22 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -122.37 99.79 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.98 157.71 16.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.729 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.09 131.59 1.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.833 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.712 HD11 ' HB1' ' A' ' 86' ' ' ALA . 8.7 tt -98.61 156.63 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.581 0.229 . . . . 0.0 110.578 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.471 ' N ' HD23 ' A' ' 70' ' ' LEU . 17.0 p90 -146.09 118.65 8.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.781 0.324 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.4 110.03 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 36.7 ttp -116.65 132.71 56.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.81 131.39 55.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 75' ' ' PHE . 15.9 p90 -119.71 138.82 53.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -96.75 129.59 44.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.74 167.05 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -5.3 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.405 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.64 -47.69 0.33 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.936 0.398 . . . . 0.0 110.769 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -75.73 -173.17 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.793 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -102.69 178.34 4.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -61.07 144.26 53.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -131.57 117.34 16.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -81.97 148.12 15.24 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.598 2.199 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 112' ' ' VAL . 4.3 mp -142.92 119.87 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.712 ' HB1' HD11 ' A' ' 70' ' ' LEU . . . -107.25 117.84 35.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -118.28 135.79 11.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.37 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.7 ' CZ ' HD12 ' A' ' 70' ' ' LEU . 89.0 m-85 -93.01 110.3 21.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 111.005 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.879 ' CA ' HG22 ' A' ' 109' ' ' THR . . . -95.74 133.68 11.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.444 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.401 ' CZ3' ' O ' ' A' ' 88' ' ' TYR . 27.0 p90 -132.56 118.11 18.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -145.69 168.02 21.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 m -112.68 106.43 14.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.8 p -95.03 145.5 24.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -138.42 141.53 39.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.1 129.37 28.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.82 -169.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.472 2.115 . . . . 0.0 112.239 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.06 -34.82 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.99 -48.42 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.8 149.07 40.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.016 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -110.35 -31.87 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -59.83 -40.8 89.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 134' ' ' TYR . 1.1 t80 -70.61 143.4 51.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -136.5 151.54 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.8 tt -153.81 119.74 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.544 ' O ' HD22 ' A' ' 106' ' ' LEU . . . -145.52 169.08 27.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.464 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.544 HD22 ' O ' ' A' ' 105' ' ' GLY . 0.4 OUTLIER -138.83 151.47 47.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.3 -147.95 9.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.67 165.17 28.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.879 HG22 ' CA ' ' A' ' 89' ' ' GLY . 17.1 p -143.87 124.71 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.713 ' HB2' HD12 ' A' ' 126' ' ' LEU . . . -99.43 113.96 26.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.04 109.74 3.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.612 ' O ' HG23 ' A' ' 85' ' ' ILE . 21.6 t -103.25 132.38 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.418 ' HA ' HG23 ' A' ' 85' ' ' ILE . 4.0 t -98.94 140.83 32.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.01 -169.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -57.39 171.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 67.15 62.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -149.14 -47.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.803 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.694 ' CD1' HD22 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -122.38 -74.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.785 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -131.43 -42.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -178.34 -35.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 122' ' ' PRO . 2.1 pp -82.97 153.6 67.02 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.669 ' O ' HD12 ' A' ' 121' ' ' ILE . 34.2 Cg_endo -64.4 163.01 28.21 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.616 2.211 . . . . 0.0 112.255 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.694 HD22 ' CD1' ' A' ' 118' ' ' TRP . 30.3 tp -128.01 99.57 25.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.51 ' HB3' HG22 ' A' ' 112' ' ' VAL . 74.1 Cg_endo -75.34 156.23 41.48 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.545 2.163 . . . . 0.0 112.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.619 HG12 HD13 ' A' ' 127' ' ' LEU . 21.3 t -149.97 115.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.789 ' O ' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -95.94 125.27 40.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 126' ' ' LEU . 4.7 mp -142.47 156.63 63.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.79 125.05 12.14 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.689 2.259 . . . . 0.0 112.212 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.693 HD11 ' OE1' ' A' ' 140' ' ' GLN . 0.2 OUTLIER -130.73 152.58 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 141' ' ' MET . . . -137.94 168.19 20.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.1 m -139.35 113.98 9.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.09 126.36 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.61 -158.3 20.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.582 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.413 ' HB3' ' CD2' ' A' ' 102' ' ' PHE . 33.9 p90 -170.91 126.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 110.815 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.95 -131.31 25.5 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.381 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.6 5.07 6.37 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.623 2.215 . . . . 0.0 113.043 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.6 t -112.99 116.75 53.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.809 0.338 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 69.6 m -125.05 115.41 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.015 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -109.12 118.24 36.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.693 ' OE1' HD11 ' A' ' 129' ' ' LEU . 2.6 pt20 -103.95 131.33 51.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.009 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . 0.63 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 9.5 mmt -85.05 135.07 34.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.66 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.45 HG23 ' CD2' ' A' ' 129' ' ' LEU . 2.9 m -128.65 142.68 50.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . 0.647 ' O ' HD23 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -144.57 160.65 40.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.726 HD12 HD21 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -124.45 91.78 49.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.115 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.03 125.5 13.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.696 2.264 . . . . 0.0 112.23 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -135.23 46.61 1.03 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.483 ' O ' HG22 ' A' ' 147' ' ' THR . 11.3 m 58.26 21.84 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.736 0.303 . . . . 0.0 111.086 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 62.16 16.15 8.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.377 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -110.17 -51.06 2.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.969 0.414 . . . . 0.0 110.788 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -113.63 -25.03 8.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.027 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -92.34 127.77 9.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.565 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -179.45 38.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.79 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.9 t -118.17 141.71 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -105.81 147.13 28.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -137.67 129.92 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.23 122.05 46.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.54 144.67 41.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . 0.5 ' HB2' ' HB2' ' A' ' 30' ' ' ALA . 1.2 mtt -103.0 137.29 41.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -129.27 126.57 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.91 142.71 51.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.58 120.12 31.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.412 ' O ' HD12 ' A' ' 163' ' ' LEU . 10.4 t80 -109.96 144.55 38.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 162' ' ' PHE . 1.9 mp -144.04 141.46 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 60.35 -178.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 2.4 t60 62.4 118.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -105.39 109.05 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.17 -175.85 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -143.41 35.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -167.64 -43.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.929 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mtt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.914 0.388 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -109.39 31.63 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.08 -56.15 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -28.9 57.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.11 -39.09 92.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -62.49 -40.83 97.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.6 mtm -64.48 -39.03 93.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -63.1 -31.94 73.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 -38.06 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.12 -43.08 58.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -30.96 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -31.34 67.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 17' ' ' THR . 1.9 t30 -78.19 -46.6 20.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.78 -37.93 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.79 98.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -67.37 -42.0 84.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 13' ' ' ASN . 31.7 p -62.35 -46.18 89.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -66.28 -33.56 76.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -28.98 57.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -64.93 112.0 7.11 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.47 169.61 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.427 2.085 . . . . 0.0 112.287 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -99.46 -46.09 5.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -136.81 168.51 19.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.37 108.73 15.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.57 147.03 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mp -117.4 147.18 42.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.731 ' O ' HD13 ' A' ' 28' ' ' ILE . 9.5 m-85 -128.79 117.74 21.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.731 HD13 ' O ' ' A' ' 27' ' ' TYR . 23.9 mm -140.2 138.82 19.74 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.26 149.19 23.02 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.452 2.101 . . . . 0.0 112.248 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' HG3' ' A' ' 158' ' ' MET . . . -124.08 -69.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 30' ' ' ALA . 19.6 pt -158.36 170.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.431 HG23 ' NE2' ' A' ' 34' ' ' HIS . 2.2 t -155.06 147.73 24.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -96.18 121.99 38.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.431 ' NE2' HG23 ' A' ' 32' ' ' THR . 41.8 m-70 -114.8 140.86 48.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.792 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.38 161.46 37.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -135.31 -58.45 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -161.78 -50.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.62 152.35 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.73 87.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 166.06 12.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -136.12 -65.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -176.56 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.74 27.69 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.022 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m 57.33 40.63 27.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -50.05 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.43 -173.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 59.72 59.41 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -113.41 166.13 11.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -111.44 136.15 51.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -106.6 88.3 3.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -68.93 101.57 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.584 2.189 . . . . 0.0 112.279 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -71.27 134.7 47.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.5 -179.15 41.73 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.423 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.41 -168.89 25.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.57 -144.08 6.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.546 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -130.89 173.9 10.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.39 164.58 29.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.543 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.19 168.03 19.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 m -142.15 169.36 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.34 144.32 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -110.95 119.96 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' HB2' ' CB ' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -100.08 137.03 39.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -22.87 6.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.572 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 35.07 0.92 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.12 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 54.39 47.55 68.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.849 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -121.98 111.31 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.928 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -97.98 93.07 6.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 90' ' ' TRP . 0.1 OUTLIER -78.79 162.83 25.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.76 141.62 6.47 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.79 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.869 HD22 ' CE1' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -132.36 166.22 22.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 179.862 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.499 ' O ' ' HA ' ' A' ' 86' ' ' ALA . 10.1 p90 -152.09 118.49 5.63 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.613 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 85' ' ' ILE . . . -102.07 109.95 21.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.608 ' HB2' HD11 ' A' ' 85' ' ' ILE . 38.6 mtp -119.84 156.15 31.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB1' ' NE1' ' A' ' 82' ' ' TRP . . . -121.74 130.25 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -109.58 131.64 54.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -111.65 118.31 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.71 -175.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.7 m -69.58 -34.83 74.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -103.62 -73.94 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -166.54 105.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -162.22 88.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.422 ' NE1' ' HB1' ' A' ' 74' ' ' ALA . 4.0 t90 -73.02 130.38 40.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.22 98.76 4.3 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.07 160.05 40.37 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.517 2.145 . . . . 0.0 112.39 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.629 ' O ' HD12 ' A' ' 85' ' ' ILE . 2.4 pp -149.69 119.95 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 71' ' ' TYR . . . -115.94 122.93 46.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.61 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 70' ' ' LEU . . . -103.55 164.44 15.5 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.979 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.869 ' CE1' HD22 ' A' ' 70' ' ' LEU . 7.4 m-85 -156.08 130.92 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.693 0.282 . . . . 0.0 110.807 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.61 174.73 42.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.606 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.42 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 70.6 p-90 -126.82 146.38 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 110.839 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -143.65 157.9 44.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.1 m -102.79 125.07 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.1 p -80.5 139.22 36.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -133.95 115.27 14.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.43 ' HD2' ' CE1' ' A' ' 103' ' ' HIS . 1.1 ttt180 -133.66 141.58 40.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.01 168.22 21.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.534 2.156 . . . . 0.0 112.289 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.61 -40.39 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.21 71.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 60.43 84.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.8 -176.66 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -62.22 -32.01 72.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.35 124.45 20.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.43 ' CE1' ' HD2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -123.38 137.81 54.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 104' ' ' LEU . 4.3 mm? -116.7 139.15 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.621 ' C ' HD12 ' A' ' 106' ' ' LEU . . . -153.76 125.55 1.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.621 HD12 ' C ' ' A' ' 105' ' ' GLY . 11.0 mp -127.93 133.57 49.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.13 179.31 48.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.402 ' HD2' HD23 ' A' ' 126' ' ' LEU . 4.4 m-85 -104.53 154.81 19.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.5 ' OG1' HD12 ' A' ' 129' ' ' LEU . 44.7 p -139.49 142.5 37.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.88 114.01 27.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -86.33 109.67 3.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.28 117.15 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.577 ' HA ' HG22 ' A' ' 85' ' ' ILE . 26.2 m -99.04 148.91 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.04 175.86 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -87.19 153.13 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -132.2 -63.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -143.58 31.71 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -95.3 -71.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -174.79 -73.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -176.43 37.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 121' ' ' ILE . 0.6 OUTLIER -135.41 116.97 12.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 162.87 1.81 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.398 2.065 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 123' ' ' LEU . 9.0 tt -114.89 86.99 14.15 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.83 160.38 48.03 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.537 2.158 . . . . 0.0 112.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.581 HG12 ' CD2' ' A' ' 127' ' ' LEU . 21.5 t -147.56 116.0 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.038 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -83.0 114.06 21.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.019 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.581 ' CD2' HG12 ' A' ' 125' ' ' VAL . 0.2 OUTLIER -150.04 144.52 17.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 53.2 Cg_endo -69.28 142.84 51.2 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.517 2.144 . . . . 0.0 112.337 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.5 HD12 ' OG1' ' A' ' 109' ' ' THR . 0.5 OUTLIER -141.67 131.33 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -105.72 163.32 12.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -144.92 124.85 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.45 129.51 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.763 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -109.21 140.85 15.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.772 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -158.13 111.79 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.175 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.49 -136.56 50.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.891 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -89.77 29.89 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.792 2.328 . . . . 0.0 112.664 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.24 136.99 29.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.919 0.39 . . . . 0.0 111.406 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.13 119.9 29.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.662 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -104.09 144.08 32.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -130.47 130.4 44.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.3 ttm -120.23 129.98 54.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 129' ' ' LEU . 11.4 t -117.32 151.82 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.169 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 154' ' ' TYR . 4.1 m-85 -132.86 132.76 42.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.639 ' O ' HG23 ' A' ' 144' ' ' ILE . 1.0 OUTLIER -105.94 103.48 44.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.216 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.19 169.86 1.88 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.512 2.141 . . . . 0.0 112.184 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 154.66 -177.87 31.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.616 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 64.8 p -88.61 54.41 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 64.14 -77.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -57.54 -28.03 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.071 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.34 26.99 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.071 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 168.35 -124.01 1.15 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.407 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.5 t30 61.24 32.97 19.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 154' ' ' TYR . 12.3 p -134.05 154.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.429 ' HB3' ' CE1' ' A' ' 143' ' ' TYR . 20.9 p90 -134.03 146.86 50.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -116.5 161.04 19.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.782 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.423 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -112.6 160.33 17.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -152.4 132.88 13.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . 0.704 ' HG3' ' HB2' ' A' ' 30' ' ' ALA . 26.6 mtt -99.83 138.68 36.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -130.36 136.62 49.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.05 135.13 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.772 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -94.77 121.69 36.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.99 135.41 37.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.6 mp -127.06 155.49 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.34 125.84 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -138.11 -47.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -107.3 31.61 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -105.18 134.0 49.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 142.72 54.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -79.99 172.2 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.856 179.975 . . . . . . . . 0 0 . 1 stop_ save_