data_2mpu_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 2mpu _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 121.827 0.822 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -126.62 125.76 42.47 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.681 1.992 . . . . 0.0 109.942 -173.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -140.99 155.7 46.17 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.64 0.776 . . . . 0.0 112.665 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -84.83 145.96 27.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.649 1.98 . . . . 0.0 111.827 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.99 110.08 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.324 1.449 . . . . 0.0 108.69 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.21 134.82 11.93 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.335 0.969 . . . . 0.0 112.187 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.4 -31.57 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 126.954 2.102 . . . . 0.0 112.925 172.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.42 163.64 5.05 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.249 1.819 . . . . 0.0 113.802 -161.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.1 p -145.14 175.62 10.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.106 1.762 . . . . 0.0 111.183 -169.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.1 p90 -51.69 -14.79 0.38 Allowed 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 164.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -100.32 -30.61 11.77 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.128 1.371 . . . . 0.0 113.465 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.61 146.59 23.66 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 120.382 1.447 . . . . 0.0 113.926 -176.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -137.29 -178.3 5.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.221 1.009 . . . . 0.0 112.753 174.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.04 -33.08 64.62 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.874 0.87 . . . . 0.0 112.812 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.25 -38.86 81.1 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.06 0.944 . . . . 0.0 111.859 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.62 -35.93 62.41 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.643 1.116 . . . . 0.0 113.888 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pp -79.59 -35.18 40.04 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.693 1.246 . . . . 0.0 111.989 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -55.25 -45.5 76.05 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.268 -0.895 . . . . 0.0 110.678 170.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.68 -18.73 65.03 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.48 -24.29 24.17 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.307 1.043 . . . . 0.0 113.689 172.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -102.53 -21.22 14.23 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.675 1.59 . . . . 0.0 114.217 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 t -59.95 -23.61 63.7 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.961 1.304 . . . . 0.0 113.349 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 p -69.79 -12.59 61.75 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.656 1.982 . . . . 0.0 115.031 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -95.69 -38.85 10.18 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.156 0.982 . . . . 0.0 112.665 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.49 179.19 46.84 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 115.285 0.874 . . . . 0.0 115.285 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.21 115.68 11.73 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.688 1.595 . . . . 0.0 111.651 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.1 mm -78.08 139.84 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.784 1.234 . . . . 0.0 111.942 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 mt -92.42 -45.35 8.2 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.429 1.492 . . . . 0.0 111.686 168.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.55 159.36 44.15 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.901 0.858 . . . . 0.0 111.645 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.87 148.64 47.19 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.031 149.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -119.38 137.79 53.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.696 1.598 . . . . 0.0 108.934 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.74 132.67 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.025 1.33 . . . . 0.0 109.402 164.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.281 10.6 tp . . . . . 0 N--CA 1.472 0.65 0 CA-C-O 123.028 1.395 . . . . 0.0 113.52 -173.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 CA--C 1.538 0.509 0 CA-C-O 121.353 0.597 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -72.15 -28.63 63.37 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.817 0.847 . . . . 0.0 110.284 161.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.37 26.4 68.14 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.033 1.301 . . . . 0.0 113.839 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -150.79 -179.25 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 125.11 1.364 . . . . 0.0 110.396 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.61 -151.85 10.83 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 124.245 0.926 . . . . 0.0 110.893 161.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -114.13 156.9 23.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 p -128.91 142.97 42.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 126.841 2.056 . . . . 0.0 108.814 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.5 p -137.37 141.38 41.76 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -111.46 153.89 25.49 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.995 1.318 . . . . 0.0 112.722 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 m -75.21 -13.14 60.42 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.796 1.239 . . . . 0.0 113.748 170.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -139.19 150.68 45.85 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.442 1.897 . . . . 0.0 110.833 -172.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -82.4 -36.56 26.61 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -57.34 -42.51 82.09 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.313 1.045 . . . . 0.0 111.384 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.82 -43.84 97.71 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.105 0.962 . . . . 0.0 112.543 174.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 44.0 ttp -63.91 -44.7 92.16 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.903 -0.498 . . . . 0.0 111.663 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -77.75 -39.79 43.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 118.457 -0.782 . . . . 0.0 113.095 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -67.68 -29.37 68.63 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.037 0.835 . . . . 0.0 111.81 173.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.03 -62.43 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.439 0.563 . . . . 0.0 110.754 169.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.3 mt -52.71 -46.2 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.438 1.017 . . . . 0.0 112.806 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -65.86 -21.09 66.44 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.23 0.923 . . . . 0.0 113.388 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.21 -26.07 10.54 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.835 1.207 . . . . 0.0 115.741 173.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.6 mmt -76.64 -26.65 55.12 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.122 1.769 . . . . 0.0 114.733 -168.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -51.24 114.57 1.24 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.033 0.833 . . . . 0.0 111.664 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.89 6.97 87.89 Favored Glycine 0 CA--C 1.537 1.45 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -67.11 167.59 11.73 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.679 1.74 . . . . 0.0 112.361 173.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -118.28 117.4 29.0 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.84 0.856 . . . . 0.0 112.266 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -116.56 134.59 54.66 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.979 2.112 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.7 t0 44.7 32.93 0.85 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.757 1.623 . . . . 0.0 115.221 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.41 20.09 65.07 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.156 1.36 . . . . 0.0 115.721 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -132.25 144.63 50.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.931 2.092 . . . . 0.0 111.279 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 t -82.43 133.48 35.21 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.48 -0.762 . . . . 0.0 112.27 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 pt -98.44 163.4 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -169.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.8 t -133.96 141.89 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.666 1.587 . . . . 0.0 108.975 165.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 m -123.33 132.65 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.377 1.471 . . . . 0.0 112.549 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -154.78 164.01 39.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.219 -0.926 . . . . 0.0 112.084 160.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.59 152.03 27.3 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.968 -1.082 . . . . 0.0 112.998 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.844 0 C-N-CA 124.607 1.163 . . . . 0.0 113.387 -175.042 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 CA--C 1.547 0.854 0 CA-C-O 119.911 -0.09 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 ptm85 -133.64 144.71 49.39 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 p -135.56 158.43 44.4 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.664 1.585 . . . . 0.0 113.655 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -92.23 150.17 21.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.249 2.22 . . . . 0.0 111.794 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.7 120.44 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.837 1.655 . . . . 0.0 110.478 177.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.03 122.29 7.44 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.729 -1.039 . . . . 0.0 111.316 169.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -177.64 -33.21 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.851 1.26 . . . . 0.0 114.289 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.3 mt -56.3 151.62 12.49 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -164.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 p -130.53 179.41 5.95 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.023 2.129 . . . . 0.0 111.092 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.2 p90 -47.66 -25.67 1.26 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 164.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -88.7 -34.11 17.31 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.392 1.477 . . . . 0.0 113.287 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.19 153.29 21.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.712 1.205 . . . . 0.0 113.736 -169.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.08 -172.05 3.5 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.643 1.177 . . . . 0.0 112.183 165.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -52.44 -35.16 51.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.617 1.167 . . . . 0.0 112.791 172.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -69.23 -40.59 77.85 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.974 1.31 . . . . 0.0 113.993 -170.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.1 -28.71 72.62 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.436 0.562 . . . . 0.0 112.847 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.71 -38.24 47.75 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 117.725 0.762 . . . . 0.0 111.782 170.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.25 -43.48 70.96 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.617 1.098 . . . . 0.0 111.157 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.73 82.11 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.713 0.688 . . . . 0.0 112.843 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -30.17 70.24 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -88.84 -24.58 22.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.516 1.126 . . . . 0.0 113.587 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 m -60.85 -20.39 61.69 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.535 1.062 . . . . 0.0 113.833 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -60.43 -27.76 67.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.937 0.895 . . . . 0.0 113.382 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -91.68 -24.87 19.36 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.729 1.212 . . . . 0.0 113.412 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.16 -171.08 43.34 Favored Glycine 0 CA--C 1.533 1.157 0 N-CA-C 115.315 0.886 . . . . 0.0 115.315 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.95 116.21 15.43 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.219 1.408 . . . . 0.0 111.622 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 mm -77.99 135.27 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.453 1.101 . . . . 0.0 110.916 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.05 -35.03 12.1 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.777 1.231 . . . . 0.0 112.079 169.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -164.54 157.55 17.21 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.263 0.938 . . . . 0.0 111.107 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.74 148.05 36.62 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.26 0.552 . . . . 0.0 110.797 158.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -103.05 133.84 47.5 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.297 -0.877 . . . . 0.0 110.236 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.31 136.75 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 125.839 1.656 . . . . 0.0 108.535 166.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 CA--C 1.543 0.709 0 CA-C-O 122.893 1.33 . . . . 0.0 112.861 168.727 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -67.76 -31.37 71.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.19 0.596 . . . . 0.0 111.713 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.35 23.72 64.87 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 115.503 0.961 . . . . 0.0 115.503 162.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -139.89 167.83 21.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.496 1.519 . . . . 0.0 110.577 173.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.55 176.9 32.17 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.594 1.092 . . . . 0.0 113.346 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.66 158.2 23.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.499 1.12 . . . . 0.0 111.328 167.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.17 139.36 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.647 1.579 . . . . 0.0 109.226 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -126.84 136.67 52.66 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.027 1.331 . . . . 0.0 112.259 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -112.94 157.25 21.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.791 2.037 . . . . 0.0 111.936 -167.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 m -82.35 -27.42 32.18 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.173 0.989 . . . . 0.0 113.17 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -137.11 152.69 50.29 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.563 1.145 . . . . 0.0 113.475 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -68.2 -41.13 81.82 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.623 1.969 . . . . 0.0 113.947 -170.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -68.32 -37.86 80.99 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.991 -1.068 . . . . 0.0 112.649 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.83 92.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.307 0.643 . . . . 0.0 112.173 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 43.8 ttp -61.8 -43.47 98.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.977 0.911 . . . . 0.0 111.98 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -75.06 -49.48 19.6 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.476 0.71 . . . . 0.0 112.448 -173.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -71.85 -23.03 61.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.09 -61.88 1.98 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.219 167.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.09 -44.49 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 125.164 1.385 . . . . 0.0 112.015 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.78 -22.77 67.06 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.582 1.153 . . . . 0.0 113.608 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.44 -31.54 6.75 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.559 1.076 . . . . 0.0 114.656 169.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mmt -67.51 -28.35 67.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.975 1.71 . . . . 0.0 114.31 -172.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -56.18 104.73 0.15 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.737 0.815 . . . . 0.0 112.412 -173.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.82 8.02 77.08 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.737 1.455 . . . . 0.0 116.737 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -67.72 154.8 40.7 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.067 1.934 . . . . 0.0 112.83 174.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -85.74 120.04 26.73 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.094 0.957 . . . . 0.0 110.98 163.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -128.22 131.39 48.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.544 1.938 . . . . 0.0 109.27 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 56.3 20.56 4.71 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.418 1.487 . . . . 0.0 113.619 -169.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.54 6.07 86.45 Favored Glycine 0 CA--C 1.539 1.571 0 O-C-N 120.207 -1.558 . . . . 0.0 114.982 -170.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -108.34 150.56 27.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.912 2.085 . . . . 0.0 109.989 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.7 m -82.1 132.58 35.25 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.447 -0.783 . . . . 0.0 111.258 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.8 tt -101.94 148.76 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 121.726 0.774 . . . . 0.0 112.974 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.5 t -129.09 139.65 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.336 1.854 . . . . 0.0 108.162 173.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 m -133.49 130.78 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -168.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -154.38 158.71 40.46 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.845 1.258 . . . . 0.0 111.703 169.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.32 151.55 27.41 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.07 -1.019 . . . . 0.0 112.823 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.684 0 C-N-CA 125.289 1.436 . . . . 0.0 112.783 -176.641 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 122.614 1.197 . . . . 0.0 108.243 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -130.48 155.76 45.92 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.534 1.533 . . . . 0.0 112.508 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -148.53 157.03 43.2 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.475 1.11 . . . . 0.0 113.441 -175.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.6 147.61 43.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.596 1.559 . . . . 0.0 111.334 166.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.11 145.46 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.349 1.86 . . . . 0.0 109.53 164.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.12 124.91 1.9 Allowed Glycine 0 CA--C 1.528 0.867 0 O-C-N 121.999 -0.438 . . . . 0.0 113.053 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.9 p -176.56 -20.88 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.996 2.118 . . . . 0.0 113.547 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.49 161.97 18.96 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.066 1.346 . . . . 0.0 112.556 -166.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -114.82 176.55 5.0 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 126.771 2.029 . . . . 0.0 110.471 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -50.86 -25.71 4.87 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.161 0.984 . . . . 0.0 113.647 166.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -100.22 -29.35 12.51 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.63 149.09 45.91 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.873 1.67 . . . . 0.0 111.542 174.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -149.03 -178.29 6.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -58.46 -33.71 70.06 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.301 -0.875 . . . . 0.0 113.204 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -66.6 -32.05 73.14 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.71 -43.78 65.91 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.437 1.018 . . . . 0.0 112.582 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -57.89 -51.02 71.35 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 117.625 0.712 . . . . 0.0 111.483 168.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.43 -45.15 76.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.174 0.989 . . . . 0.0 112.007 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.12 -27.37 63.53 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -174.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.39 -47.31 34.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.121 0.568 . . . . 0.0 110.789 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -76.31 -20.57 57.17 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.9 t -62.34 -21.3 65.19 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.147 0.885 . . . . 0.0 113.033 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.8 m -71.46 -23.55 61.85 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.831 -1.168 . . . . 0.0 113.176 173.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -79.47 -43.73 22.68 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.447 -0.783 . . . . 0.0 111.266 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.92 -160.48 26.89 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 116.107 1.203 . . . . 0.0 116.107 176.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.89 132.71 53.01 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.52 1.128 . . . . 0.0 111.844 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 mm -109.0 138.8 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.227 1.811 . . . . 0.0 110.316 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -96.96 -31.13 12.7 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.081 1.352 . . . . 0.0 112.734 169.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -164.21 154.85 15.17 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.271 1.028 . . . . 0.0 111.378 -177.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.79 150.3 49.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.556 138.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -102.55 144.72 30.61 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.981 1.713 . . . . 0.0 110.282 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.95 141.35 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.655 1.182 . . . . 0.0 110.211 160.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.4 tp . . . . . 0 CA--C 1.544 0.715 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.875 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -81.61 -23.62 36.93 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.749 -1.219 . . . . 0.0 111.203 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.75 15.5 66.75 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.641 1.115 . . . . 0.0 115.347 163.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -127.41 168.72 14.46 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.247 2.219 . . . . 0.0 108.981 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.54 178.25 34.84 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.391 0.996 . . . . 0.0 113.514 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -116.36 158.08 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.563 1.145 . . . . 0.0 110.689 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.12 138.89 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.938 1.295 . . . . 0.0 108.913 168.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 t -131.34 133.85 45.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.635 1.174 . . . . 0.0 111.327 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -109.65 156.54 20.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.433 1.493 . . . . 0.0 111.667 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -85.15 -16.32 40.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -132.47 146.28 51.82 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.871 1.214 . . . . 0.0 112.308 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -77.64 -40.81 40.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.62 1.168 . . . . 0.0 113.58 -163.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -73.28 -35.52 66.17 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.027 -1.046 . . . . 0.0 112.019 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.51 97.9 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.582 1.153 . . . . 0.0 112.148 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -59.87 -45.16 93.36 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.692 0.797 . . . . 0.0 112.082 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -71.96 -35.62 69.61 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.48 -0.762 . . . . 0.0 112.126 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -67.38 -30.24 69.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.068 0.547 . . . . 0.0 112.067 174.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.47 43.82 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 118.598 -0.715 . . . . 0.0 110.737 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.9 mm -54.09 -39.3 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 120.154 1.343 . . . . 0.0 113.211 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.15 -26.03 61.94 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 120.605 -1.31 . . . . 0.0 113.954 172.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.32 -33.6 22.48 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.64 1.114 . . . . 0.0 114.727 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mtt -69.34 -41.74 76.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.471 1.908 . . . . 0.0 112.949 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -53.06 112.68 0.9 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.16 0.984 . . . . 0.0 111.957 -171.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.81 86.98 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.754 1.462 . . . . 0.0 116.754 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -69.24 146.28 52.46 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.12 1.96 . . . . 0.0 112.957 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -86.6 86.1 7.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.852 1.261 . . . . 0.0 108.943 169.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -95.82 127.85 42.2 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.066 0.946 . . . . 0.0 110.029 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.9 t70 55.09 23.2 5.05 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 122.218 1.008 . . . . 0.0 112.825 -160.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.26 -5.88 83.2 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.675 2.083 . . . . 0.0 115.54 -172.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -108.08 134.87 50.35 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.449 1.624 . . . . 0.0 111.852 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.6 m -64.24 118.75 9.08 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.732 0.813 . . . . 0.0 111.946 -176.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.0 tt -93.85 161.43 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.399 1.48 . . . . 0.0 112.395 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.6 t -136.64 146.21 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.81 1.644 . . . . 0.0 108.694 173.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.9 m -127.18 142.71 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.865 1.266 . . . . 0.0 113.659 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.19 160.4 38.68 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.776 1.231 . . . . 0.0 111.35 152.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 153.25 17.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.764 1.226 . . . . 0.0 113.685 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.843 0 C-N-CA 125.704 1.602 . . . . 0.0 113.187 -175.685 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.852 0.358 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -113.94 137.26 51.92 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.512 1.125 . . . . 0.0 111.727 -172.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.29 157.07 46.39 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.319 1.047 . . . . 0.0 112.768 175.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -76.36 151.12 36.73 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.784 2.034 . . . . 0.0 111.754 170.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.75 120.04 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.248 1.819 . . . . 0.0 110.361 170.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.14 124.19 5.92 Favored Glycine 0 N--CA 1.474 1.208 0 C-N-CA 124.434 1.016 . . . . 0.0 112.481 172.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 p -179.79 -24.21 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.961 1.704 . . . . 0.0 114.147 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.96 159.37 20.08 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.079 1.352 . . . . 0.0 113.252 -161.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.7 m -127.17 169.63 13.25 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 126.913 2.085 . . . . 0.0 109.792 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -54.02 -33.68 57.87 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -78.7 -31.36 46.5 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.559 1.143 . . . . 0.0 113.334 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.12 156.51 37.31 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.273 1.429 . . . . 0.0 112.265 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -148.78 -165.57 2.31 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.478 -0.763 . . . . 0.0 112.492 163.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -54.88 -31.44 59.86 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 121.619 -0.676 . . . . 0.0 112.496 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -52.97 -44.55 67.24 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.307 0.958 . . . . 0.0 112.395 -177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.44 -36.71 43.37 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.476 -176.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.29 -37.82 56.98 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.996 1.398 . . . . 0.0 111.655 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -57.95 -43.98 86.7 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.612 1.165 . . . . 0.0 110.588 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.18 82.2 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.28 74.0 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.588 -0.695 . . . . 0.0 111.621 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -73.88 -30.63 62.73 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.49 1.116 . . . . 0.0 113.097 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.8 t -60.16 -20.11 56.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.218 1.007 . . . . 0.0 113.418 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 m -80.18 -15.14 57.7 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -88.38 -26.28 22.26 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.661 1.184 . . . . 0.0 113.108 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.3 -173.86 46.19 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.632 1.11 . . . . 0.0 113.489 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.03 115.33 5.96 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.214 1.006 . . . . 0.0 111.392 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.7 tp -88.14 145.17 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 127.341 2.256 . . . . 0.0 111.871 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -113.24 -55.6 2.5 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.836 1.254 . . . . 0.0 113.042 -171.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -164.15 154.72 15.18 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.562 1.945 . . . . 0.0 110.43 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.08 147.36 40.16 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.814 0.846 . . . . 0.0 112.956 167.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -102.09 150.45 23.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.098 2.159 . . . . 0.0 110.389 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.55 145.67 34.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 126.019 1.727 . . . . 0.0 108.573 161.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 123.158 1.456 . . . . 0.0 114.816 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.7 mtp85 -90.78 -26.01 19.68 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.737 0.415 . . . . 0.0 111.376 168.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.29 19.62 58.48 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.12 1.343 . . . . 0.0 114.81 167.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -144.65 172.97 12.25 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.301 -1.117 . . . . 0.0 112.031 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.74 -177.22 31.62 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 125.518 1.532 . . . . 0.0 113.376 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -115.76 161.42 18.76 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.104 1.362 . . . . 0.0 110.188 161.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -148.36 150.62 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.901 1.28 . . . . 0.0 110.888 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.8 t -143.03 153.42 42.94 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -171.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -126.11 167.04 15.93 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.721 2.008 . . . . 0.0 113.844 -171.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.3 p -78.54 -19.09 53.66 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -147.94 162.08 40.03 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.32 1.448 . . . . 0.0 113.643 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -63.95 -33.62 76.14 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.089 1.756 . . . . 0.0 113.05 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -66.94 -49.89 64.05 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.601 -0.687 . . . . 0.0 112.746 -168.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.78 74.66 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -64.45 -49.12 72.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.503 0.592 . . . . 0.0 111.336 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -71.76 -35.67 70.15 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.09 -1.006 . . . . 0.0 112.273 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.89 -31.43 72.36 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.94 0.896 . . . . 0.0 112.127 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.68 -59.44 2.95 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.31 171.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.9 mm -53.07 -37.87 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 120.128 1.331 . . . . 0.0 112.655 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.52 -44.85 77.04 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.8 1.24 . . . . 0.0 113.093 172.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.95 -23.56 29.78 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.401 1.0 . . . . 0.0 115.055 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.8 mmt -74.72 -32.25 62.08 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.814 1.307 . . . . 0.0 114.306 -166.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -55.69 109.29 0.54 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 120.377 1.444 . . . . 0.0 112.112 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.46 6.3 89.0 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.177 1.37 . . . . 0.0 116.259 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -64.66 139.64 58.78 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.731 2.266 . . . . 0.0 110.751 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -82.4 98.16 8.73 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 122.011 -0.431 . . . . 0.0 111.94 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.02 135.4 51.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.051 1.74 . . . . 0.0 109.837 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 t70 51.57 29.39 5.44 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.049 0.939 . . . . 0.0 113.398 -174.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.78 17.23 80.09 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.521 -1.362 . . . . 0.0 115.493 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -131.57 145.6 51.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.371 1.868 . . . . 0.0 111.712 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 81.0 p -70.18 127.08 31.58 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.671 -0.643 . . . . 0.0 111.251 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.9 tt -94.61 144.97 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.712 0.768 . . . . 0.0 112.98 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.61 133.67 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.705 1.602 . . . . 0.0 108.603 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.7 m -133.19 141.33 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -169.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -154.94 159.87 40.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.551 1.14 . . . . 0.0 110.838 164.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -59.62 146.34 41.33 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.162 -0.961 . . . . 0.0 110.831 169.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.596 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 N--CA 1.472 0.637 0 CA-C-O 123.046 1.403 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -140.35 153.62 46.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.851 2.06 . . . . 0.0 110.986 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.82 155.67 49.41 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.557 0.694 . . . . 0.0 112.028 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -74.41 149.87 40.25 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.477 1.111 . . . . 0.0 110.629 167.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -138.18 104.7 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.343 1.457 . . . . 0.0 108.468 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.21 120.44 6.17 Favored Glycine 0 N--CA 1.47 0.935 0 CA-C-O 119.376 -0.68 . . . . 0.0 111.843 173.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.5 p -177.47 -19.61 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.0 mt -76.79 166.15 23.75 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 122.767 1.27 . . . . 0.0 113.844 -163.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -147.01 173.62 12.28 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.637 2.375 . . . . 0.0 109.23 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -56.07 -24.93 42.99 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -170.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -90.12 -25.46 20.7 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.861 1.209 . . . . 0.0 113.996 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.46 155.27 34.02 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.632 1.106 . . . . 0.0 110.877 172.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.39 -167.97 2.97 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 121.463 -0.773 . . . . 0.0 112.672 167.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -51.99 -31.88 31.34 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -71.56 -29.56 64.87 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.042 -1.036 . . . . 0.0 112.386 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.33 -31.27 47.15 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-O 118.453 -1.193 . . . . 0.0 113.424 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.11 -40.76 44.67 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.336 1.068 . . . . 0.0 111.418 164.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.33 -48.19 81.35 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 120.154 1.343 . . . . 0.0 111.542 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.31 -39.36 89.25 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.097 0.862 . . . . 0.0 112.602 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -26.43 62.35 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.352 1.061 . . . . 0.0 113.67 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -88.63 -25.31 22.49 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.33 1.052 . . . . 0.0 112.887 175.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m -59.85 -19.52 51.61 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -72.11 -22.26 61.36 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.988 -1.07 . . . . 0.0 113.623 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -84.4 -31.6 24.59 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.593 0.757 . . . . 0.0 112.115 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.09 -169.47 41.3 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-O 122.328 0.96 . . . . 0.0 114.32 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -95.18 129.11 42.42 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 125.783 1.633 . . . . 0.0 110.871 -172.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.6 mm -101.09 137.23 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.326 1.45 . . . . 0.0 112.012 -165.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -110.64 -14.55 14.03 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.768 1.227 . . . . 0.0 112.916 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -152.12 144.09 23.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.329 0.968 . . . . 0.0 111.518 170.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.15 112.36 7.71 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.527 1.531 . . . . 0.0 107.282 161.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 43.6 tptt -103.13 141.79 35.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.163 1.385 . . . . 0.0 110.437 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.61 138.38 50.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 125.645 1.578 . . . . 0.0 109.968 168.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 tp . . . . . 0 CA--C 1.544 0.745 0 CA-C-O 122.229 1.014 . . . . 0.0 112.129 170.631 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.8 m . . . . . 0 C--O 1.236 0.393 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -67.29 -30.48 70.35 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.249 1.02 . . . . 0.0 111.711 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.23 29.02 51.91 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.038 0.828 . . . . 0.0 115.071 166.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -155.21 175.89 13.26 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.75 1.22 . . . . 0.0 111.84 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.6 -149.03 7.64 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.247 0.927 . . . . 0.0 112.936 162.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.449 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 18.0 m-85 -114.09 158.76 20.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.547 1.539 . . . . 0.0 111.891 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.79 138.98 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.485 1.114 . . . . 0.0 110.023 165.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 p -125.92 142.39 51.54 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.142 0.883 . . . . 0.0 113.015 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -103.78 168.89 8.85 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.719 1.208 . . . . 0.0 112.244 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m -88.77 -29.08 20.05 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.044 1.338 . . . . 0.0 112.42 167.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -138.53 151.04 46.98 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.158 1.383 . . . . 0.0 112.646 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -80.61 -29.74 36.81 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -72.25 -35.71 68.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.074 -1.016 . . . . 0.0 111.335 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.89 97.6 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.478 0.711 . . . . 0.0 111.461 169.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.0 ttp -58.85 -40.68 84.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.815 0.846 . . . . 0.0 112.117 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.24 -44.89 58.69 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.36 -0.837 . . . . 0.0 112.957 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.3 -31.99 73.41 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.945 -0.55 . . . . 0.0 111.425 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.96 -59.39 3.54 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.268 0.627 . . . . 0.0 111.411 171.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.6 mt -51.52 -42.53 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 125.126 1.37 . . . . 0.0 112.142 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.87 -39.05 68.26 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.904 0.881 . . . . 0.0 112.918 171.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.85 6.33 81.92 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 127.05 2.262 . . . . 0.0 115.77 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.0 mmt -113.22 -33.59 5.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.877 1.838 . . . . 0.0 113.156 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -56.15 105.27 0.18 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.657 0.783 . . . . 0.0 110.341 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.08 15.46 81.07 Favored Glycine 0 CA--C 1.534 1.257 0 N-CA-C 116.469 1.348 . . . . 0.0 116.469 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -72.99 175.17 6.88 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.127 1.964 . . . . 0.0 112.17 172.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.27 139.95 35.21 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.249 1.02 . . . . 0.0 110.664 154.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.63 135.9 33.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.766 1.626 . . . . 0.0 109.273 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.8 t0 50.15 25.3 1.7 Allowed 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -167.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.51 3.37 90.65 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.96 1.743 . . . . 0.0 115.721 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -112.01 146.83 37.2 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.924 1.69 . . . . 0.0 109.77 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.2 m -55.37 129.7 39.62 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.477 1.035 . . . . 0.0 111.327 170.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.2 tt -101.72 144.59 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.346 1.059 . . . . 0.0 111.659 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.1 t -128.99 140.38 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 126.412 1.885 . . . . 0.0 109.429 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.4 m -126.85 151.07 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.158 1.383 . . . . 0.0 112.605 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -156.23 158.32 37.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.663 1.185 . . . . 0.0 111.811 162.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -56.35 149.34 16.84 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.256 1.022 . . . . 0.0 111.844 170.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.904 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -172.828 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.595 0 CA-C-O 122.442 1.115 . . . . 0.0 109.689 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -142.59 145.92 34.04 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.842 2.057 . . . . 0.0 110.722 -176.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.7 p -143.98 150.73 38.74 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -73.54 141.73 46.69 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.659 1.184 . . . . 0.0 110.904 164.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.44 145.81 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.51 1.924 . . . . 0.0 111.425 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.29 124.63 1.3 Allowed Glycine 0 N--CA 1.468 0.772 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 170.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.8 p -162.24 24.18 0.11 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.435 2.294 . . . . 0.0 111.564 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.77 168.88 10.38 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.709 1.243 . . . . 0.0 111.875 -166.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -136.71 177.05 8.16 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.946 2.499 . . . . 0.0 109.09 173.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -50.76 -21.46 1.65 Allowed 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 169.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -93.48 -32.25 14.26 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.494 1.117 . . . . 0.0 113.843 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.03 153.08 29.05 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.223 0.92 . . . . 0.0 111.854 174.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.05 -160.73 1.21 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 169.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -49.14 -31.87 9.03 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.426 1.09 . . . . 0.0 113.906 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -35.46 80.6 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.407 1.003 . . . . 0.0 112.142 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.3 -39.11 62.45 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.044 0.83 . . . . 0.0 112.798 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.31 -39.75 85.93 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.508 0.723 . . . . 0.0 112.357 171.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.98 -45.32 93.07 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.959 0.904 . . . . 0.0 110.577 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.02 89.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.649 0.78 . . . . 0.0 112.668 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -33.07 72.93 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -175.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -103.34 -13.06 16.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 174.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -55.37 -22.21 18.64 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 m -83.1 -11.39 58.04 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.548 1.539 . . . . 0.0 114.747 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -93.76 -39.58 10.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.108 1.363 . . . . 0.0 112.278 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.27 -160.44 23.1 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 123.94 0.781 . . . . 0.0 112.384 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -90.39 133.71 34.82 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 122.047 -0.678 . . . . 0.0 112.376 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 mm -75.02 136.22 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 125.045 1.338 . . . . 0.0 110.43 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.9 mt -113.03 -16.16 12.7 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.255 167.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -153.73 148.34 26.27 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.933 1.697 . . . . 0.0 112.404 169.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.94 137.42 33.08 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.529 1.132 . . . . 0.0 109.909 157.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -125.94 141.52 51.93 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.397 2.279 . . . . 0.0 109.943 -176.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.9 139.0 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.125 1.37 . . . . 0.0 109.585 166.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 tt . . . . . 0 CA--C 1.544 0.745 0 CA-C-O 122.693 1.235 . . . . 0.0 112.366 166.725 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmp_? -70.8 -30.81 67.37 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.65 -0.656 . . . . 0.0 111.083 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.21 22.74 67.4 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 123.819 0.723 . . . . 0.0 113.517 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -135.97 172.57 12.81 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 127.115 2.166 . . . . 0.0 111.019 -168.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.29 -177.01 41.48 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 125.237 1.399 . . . . 0.0 113.72 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -113.48 154.85 26.36 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.562 1.145 . . . . 0.0 110.351 162.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.41 143.55 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.435 1.094 . . . . 0.0 109.555 170.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 p -129.07 143.98 51.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.23 1.014 . . . . 0.0 112.778 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.12 -172.65 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 127.015 2.126 . . . . 0.0 110.518 -170.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 p -123.98 -10.39 7.67 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -144.1 151.08 39.11 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.374 1.443 . . . . 0.0 114.361 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -70.4 -42.48 71.62 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.3 1.44 . . . . 0.0 113.46 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -71.53 -35.47 70.69 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.918 -1.114 . . . . 0.0 111.617 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.33 -44.74 94.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.405 1.082 . . . . 0.0 111.531 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.6 ttt -57.01 -40.39 76.53 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.193 0.597 . . . . 0.0 111.742 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -80.05 -29.87 39.31 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.877 1.217 . . . . 0.0 113.707 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -67.79 -34.51 76.91 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.271 0.941 . . . . 0.0 110.006 168.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.23 -58.23 3.46 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.4 mm -58.2 -37.38 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 120.217 1.371 . . . . 0.0 112.802 -174.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -72.57 -26.37 61.69 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.79 1.177 . . . . 0.0 113.67 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.8 -7.49 59.97 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.822 1.677 . . . . 0.0 115.685 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.1 mmt -91.96 -41.55 10.51 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.622 1.569 . . . . 0.0 112.562 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -65.88 113.48 4.4 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.628 -0.67 . . . . 0.0 111.529 -163.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.26 5.03 83.27 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 118.103 -1.387 . . . . 0.0 116.112 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -59.04 132.95 55.56 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.118 1.959 . . . . 0.0 110.129 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -75.04 108.48 7.8 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 167.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 tt -132.93 132.51 42.08 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.957 1.703 . . . . 0.0 111.197 -170.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.8 t70 51.43 20.31 0.97 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.231 1.413 . . . . 0.0 114.66 -172.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.82 11.84 61.33 Favored Glycine 0 CA--C 1.541 1.702 0 N-CA-C 116.42 1.328 . . . . 0.0 116.42 -174.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -134.67 162.12 33.22 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.234 1.814 . . . . 0.0 111.015 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 t -88.76 124.07 33.78 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.056 -1.027 . . . . 0.0 111.328 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.1 tt -88.46 153.72 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-O 121.777 0.799 . . . . 0.0 113.074 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.97 144.22 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.321 1.849 . . . . 0.0 108.248 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -132.33 139.12 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.075 0.95 . . . . 0.0 112.701 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -157.03 149.0 22.73 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.494 0.718 . . . . 0.0 112.931 161.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.49 153.82 15.22 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.204 1.801 . . . . 0.0 114.119 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.194 0 C-N-CA 125.503 1.521 . . . . 0.0 113.274 -178.26 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 121.73 0.776 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -142.13 136.72 30.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.471 1.909 . . . . 0.0 110.961 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.8 p -147.36 158.08 43.83 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.943 0.897 . . . . 0.0 113.226 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -95.86 149.42 21.55 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.295 2.238 . . . . 0.0 111.79 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.19 131.7 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.619 1.567 . . . . 0.0 112.251 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.02 135.52 12.7 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.678 1.132 . . . . 0.0 110.807 160.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p 170.22 -13.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 126.196 1.798 . . . . 0.0 114.735 171.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 mt -79.12 158.15 27.81 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.695 -1.253 . . . . 0.0 112.742 -163.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 m -140.54 175.67 9.41 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 128.614 2.766 . . . . 0.0 109.885 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -48.36 -30.47 4.98 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -100.29 -2.68 33.06 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.683 1.193 . . . . 0.0 113.904 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.34 154.88 18.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.057 0.943 . . . . 0.0 110.175 162.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -148.08 -172.12 3.99 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.917 0.887 . . . . 0.0 110.281 162.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -54.21 -44.81 71.97 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.971 1.309 . . . . 0.0 113.805 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -57.54 -43.6 84.54 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.44 -31.08 77.77 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 119.5 -0.611 . . . . 0.0 113.869 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.87 -38.81 52.93 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.026 0.913 . . . . 0.0 111.791 168.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.51 -41.82 86.31 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.757 1.162 . . . . 0.0 111.122 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.45 -41.12 96.71 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.851 0.861 . . . . 0.0 112.693 174.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.32 -24.37 63.0 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -88.14 -29.6 20.45 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.365 1.466 . . . . 0.0 113.956 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 m -61.5 -21.56 64.32 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.67 -0.643 . . . . 0.0 111.51 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 m -62.16 -18.87 62.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.919 1.687 . . . . 0.0 114.351 171.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.76 -35.09 11.09 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.857 -1.152 . . . . 0.0 113.922 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.8 -158.0 26.66 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 119.005 0.82 . . . . 0.0 114.625 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.83 130.94 37.29 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 122.266 1.031 . . . . 0.0 113.437 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.3 tt -118.95 139.24 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 126.213 1.805 . . . . 0.0 112.313 -170.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -106.2 -31.33 8.71 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.746 1.218 . . . . 0.0 113.219 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -168.44 155.78 7.82 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.535 1.134 . . . . 0.0 111.242 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.76 147.09 51.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.529 0.731 . . . . 0.0 109.286 152.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -107.03 138.49 43.09 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.499 1.52 . . . . 0.0 110.09 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.2 144.35 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.644 1.178 . . . . 0.0 110.248 162.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 tp . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 122.869 1.318 . . . . 0.0 113.371 166.268 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 CA--C 1.535 0.377 0 CA-C-O 120.834 0.349 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -75.33 -32.13 60.81 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.865 -1.147 . . . . 0.0 110.593 167.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.94 14.24 82.21 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.96 1.743 . . . . 0.0 115.483 165.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -132.43 171.78 13.31 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.657 1.583 . . . . 0.0 111.758 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.68 173.47 36.42 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.159 1.361 . . . . 0.0 113.026 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -115.75 159.78 20.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.41 0.684 . . . . 0.0 111.538 160.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 p -134.76 146.82 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.758 1.623 . . . . 0.0 110.364 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -137.3 142.92 41.89 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.152 0.981 . . . . 0.0 112.957 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -122.44 159.75 26.96 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.73 1.612 . . . . 0.0 112.992 -169.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.9 m -70.77 -24.63 62.63 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 171.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -137.28 151.65 48.91 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.99 1.316 . . . . 0.0 112.239 -168.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -72.81 -44.72 61.14 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.763 1.225 . . . . 0.0 111.645 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -65.07 -32.03 73.53 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.873 -0.585 . . . . 0.0 111.909 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.95 83.56 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.538 0.735 . . . . 0.0 111.546 173.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.0 ttp -61.25 -44.71 96.8 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.367 0.531 . . . . 0.0 111.742 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -72.23 -37.57 69.15 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.624 -0.672 . . . . 0.0 112.277 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.2 -27.33 61.56 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.711 0.805 . . . . 0.0 111.952 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.73 -57.3 7.4 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.022 0.529 . . . . 0.0 111.031 169.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.0 mt -51.3 -45.33 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.833 1.253 . . . . 0.0 111.671 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -61.5 -30.56 70.7 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.847 0.859 . . . . 0.0 113.128 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.18 -15.0 63.25 Favored Glycine 0 CA--C 1.539 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 115.307 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.3 mmt -95.65 -31.56 13.2 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -166.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -61.16 100.0 0.11 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.681 1.128 . . . . 0.0 111.602 -172.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.83 5.14 66.68 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-O 117.439 -1.756 . . . . 0.0 116.652 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -59.95 139.18 57.58 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 120.631 2.215 . . . . 0.0 111.126 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -80.19 125.38 29.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 110.242 166.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 tp -146.26 137.6 24.6 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 125.09 1.356 . . . . 0.0 110.599 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.3 t0 48.63 24.4 0.78 Allowed 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -172.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.88 16.83 80.43 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 126.181 1.848 . . . . 0.0 116.39 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -124.22 160.51 27.75 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.171 1.788 . . . . 0.0 111.235 174.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.7 m -94.55 126.77 40.04 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.083 0.553 . . . . 0.0 111.01 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.4 mt -75.63 146.56 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.435 1.094 . . . . 0.0 112.201 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.7 t -127.1 135.68 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.354 1.462 . . . . 0.0 109.161 163.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.84 139.07 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.805 1.642 . . . . 0.0 112.836 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -151.74 152.54 32.86 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 164.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 142.46 56.96 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.788 1.235 . . . . 0.0 113.444 176.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -179.121 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 123.884 1.802 . . . . 0.0 109.772 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -143.2 142.13 31.33 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 129.862 3.265 . . . . 0.0 107.071 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.84 153.31 47.57 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.929 0.786 . . . . 0.0 111.885 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -88.3 146.53 25.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.965 1.706 . . . . 0.0 109.76 168.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 t -135.15 103.59 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.298 1.439 . . . . 0.0 109.12 -166.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.98 118.22 6.11 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 172.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 p -175.85 -34.18 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.0 mt -66.6 167.04 11.65 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 123.419 1.58 . . . . 0.0 113.602 -162.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -148.21 175.16 11.28 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.293 1.837 . . . . 0.0 110.293 -171.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -46.7 -33.58 4.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.321 1.849 . . . . 0.0 114.527 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -98.11 -15.49 19.94 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.13 147.25 23.2 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 119.994 1.27 . . . . 0.0 112.772 -178.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -146.24 -174.37 4.43 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -50.31 -49.78 52.69 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.947 1.699 . . . . 0.0 113.463 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -26.79 65.0 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.58 -45.8 10.55 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.81 1.195 . . . . 0.0 113.656 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.17 -38.23 81.84 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.094 1.447 . . . . 0.0 110.85 172.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.54 -47.1 66.94 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.86 0.864 . . . . 0.0 111.658 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.77 87.91 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.409 1.004 . . . . 0.0 113.586 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.0 -41.05 62.48 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.431 0.692 . . . . 0.0 112.089 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -70.08 -29.3 66.25 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.851 -1.155 . . . . 0.0 112.433 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.0 t -64.71 -20.07 66.12 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.43 1.092 . . . . 0.0 112.953 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -69.47 -13.64 62.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.486 1.114 . . . . 0.0 113.85 172.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -98.76 -42.39 7.23 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.583 1.153 . . . . 0.0 112.192 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.74 -174.48 38.7 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 115.143 0.817 . . . . 0.0 115.143 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.54 129.82 37.01 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.211 1.804 . . . . 0.0 112.345 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mm -105.27 144.31 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.598 1.559 . . . . 0.0 112.985 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.1 mt -102.65 -46.12 4.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.749 1.62 . . . . 0.0 113.034 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -154.6 152.91 30.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.329 1.052 . . . . 0.0 112.146 -169.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.46 142.65 37.37 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.023 1.329 . . . . 0.0 111.031 160.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -107.62 148.07 29.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.896 2.078 . . . . 0.0 109.156 171.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.46 144.81 31.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 125.077 1.351 . . . . 0.0 108.47 162.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 tp . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 122.611 1.196 . . . . 0.0 112.071 172.025 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 121.704 0.764 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -72.73 -24.37 60.97 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.986 -1.071 . . . . 0.0 112.719 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.54 33.11 61.23 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 118.465 0.575 . . . . 0.0 114.534 165.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -150.82 172.65 15.29 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.367 1.467 . . . . 0.0 111.2 173.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.4 -179.61 37.93 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.556 1.074 . . . . 0.0 113.761 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.02 160.56 18.0 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.594 1.158 . . . . 0.0 110.767 164.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.55 142.21 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.078 1.751 . . . . 0.0 109.932 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.1 t -135.2 138.66 43.84 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.325 0.966 . . . . 0.0 113.365 -172.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -115.36 162.34 17.26 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.966 1.707 . . . . 0.0 112.781 -175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.5 p -94.24 -6.1 45.38 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -139.66 151.27 45.81 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.545 1.066 . . . . 0.0 113.173 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.21 -41.44 90.15 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.221 1.808 . . . . 0.0 113.12 -173.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -78.78 -22.43 46.38 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.002 0.921 . . . . 0.0 112.754 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.13 -46.72 66.93 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.55 -1.344 . . . . 0.0 110.891 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.9 tpt -48.8 -52.31 24.69 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.25 1.82 . . . . 0.0 112.849 169.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -84.09 -26.96 28.56 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -73.01 -26.87 61.48 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.895 -1.128 . . . . 0.0 111.722 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.42 -60.31 2.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.564 0.745 . . . . 0.0 111.504 168.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.9 mt -46.84 -48.23 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.159 1.384 . . . . 0.0 112.903 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.95 -21.74 64.17 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.37 -38.42 21.55 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.251 -0.905 . . . . 0.0 113.216 165.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 22.5 mmt -73.96 -31.96 63.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.388 1.875 . . . . 0.0 114.244 -174.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -58.03 104.5 0.2 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.725 0.81 . . . . 0.0 110.713 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.92 19.41 75.29 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 115.856 1.103 . . . . 0.0 115.856 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -78.26 -170.57 2.05 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.167 1.484 . . . . 0.0 112.965 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -129.86 110.48 11.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.953 1.701 . . . . 0.0 110.472 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mp -125.28 141.34 52.14 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.204 1.802 . . . . 0.0 109.552 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 52.63 25.4 3.68 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.646 1.179 . . . . 0.0 113.628 -172.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.2 12.3 72.02 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 120.74 -1.225 . . . . 0.0 114.574 -173.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -112.67 161.88 16.35 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 127.336 2.254 . . . . 0.0 109.755 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -67.94 148.9 50.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.703 0.401 . . . . 0.0 111.588 163.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.5 tt -129.42 147.31 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.793 1.237 . . . . 0.0 111.744 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.6 t -130.75 141.57 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.989 2.116 . . . . 0.0 108.313 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 m -124.52 150.37 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.113 1.365 . . . . 0.0 112.041 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -143.75 157.81 44.13 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.492 0.663 . . . . 0.0 111.049 154.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -59.38 142.03 53.18 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.642 0.777 . . . . 0.0 111.881 164.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.457 0 O-C-N 121.284 -0.885 . . . . 0.0 113.082 -173.113 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.0 ttp-105 -143.41 138.0 29.04 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.159 1.384 . . . . 0.0 112.888 -175.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -139.54 154.25 47.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.811 1.244 . . . . 0.0 113.486 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -77.13 145.62 37.66 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.902 2.081 . . . . 0.0 111.733 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.45 109.14 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.597 1.559 . . . . 0.0 111.474 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.21 117.37 5.5 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 166.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.94 2.12 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.906 1.282 . . . . 0.0 114.332 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.6 mt -99.49 165.96 11.39 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.867 -1.146 . . . . 0.0 111.642 -170.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.3 p -125.97 -179.97 4.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 127.468 2.307 . . . . 0.0 109.217 166.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.6 p-90 -57.72 -15.41 7.85 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 167.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -93.63 -35.32 12.92 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.66 156.58 39.21 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.765 0.711 . . . . 0.0 110.75 174.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -147.46 -170.26 3.52 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 166.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.08 -24.28 64.47 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -73.22 -22.01 60.53 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.127 -0.983 . . . . 0.0 113.383 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.02 73.09 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-N 118.825 0.739 . . . . 0.0 112.214 168.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.96 -44.34 73.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.152 0.981 . . . . 0.0 112.559 168.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -56.39 -38.4 71.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.001 0.92 . . . . 0.0 111.438 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -51.05 26.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.327 0.651 . . . . 0.0 112.66 171.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.76 -31.01 66.08 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -98.0 -14.3 20.63 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.729 1.212 . . . . 0.0 113.929 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 m -63.36 -19.93 65.08 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -59.26 -33.79 71.47 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.645 1.178 . . . . 0.0 113.407 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -89.13 -29.44 19.35 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.24 -172.56 39.54 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 116.449 1.34 . . . . 0.0 116.449 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -72.57 126.11 29.09 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.543 1.137 . . . . 0.0 109.173 170.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.6 tp -109.58 146.0 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.461 1.104 . . . . 0.0 110.972 -166.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -109.52 -54.71 2.52 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.823 0.849 . . . . 0.0 111.569 -170.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.7 167.11 31.0 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.31 151.74 35.9 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.028 155.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.88 148.01 24.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.98 2.112 . . . . 0.0 109.551 173.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.6 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.65 1.18 . . . . 0.0 110.192 168.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 123.95 0.9 . . . . 0.0 112.967 171.359 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.164 0.507 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -70.17 -34.78 73.4 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.27 -0.894 . . . . 0.0 111.368 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.65 23.74 73.9 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.092 0.797 . . . . 0.0 115.092 169.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -136.51 171.34 14.63 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.714 1.606 . . . . 0.0 111.577 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.31 -178.64 28.07 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 124.769 1.176 . . . . 0.0 113.12 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -112.45 154.65 25.52 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.122 0.969 . . . . 0.0 109.191 159.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.9 p -135.26 145.8 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.104 1.362 . . . . 0.0 110.116 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -138.64 142.46 39.06 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.284 1.033 . . . . 0.0 113.597 -170.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -114.28 168.64 9.66 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.291 2.237 . . . . 0.0 112.059 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.6 p -99.15 -10.15 22.87 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 172.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -140.44 158.73 43.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.305 1.442 . . . . 0.0 114.193 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -71.67 -39.95 69.93 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.624 1.57 . . . . 0.0 112.157 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.15 -34.94 74.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.182 0.993 . . . . 0.0 112.565 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.47 -48.59 11.67 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.908 0.883 . . . . 0.0 111.944 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.8 tpt -46.33 -55.96 6.52 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.969 1.708 . . . . 0.0 112.711 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -84.74 -28.4 26.29 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.88 -31.18 64.52 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.866 -0.521 . . . . 0.0 111.647 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.62 -56.14 15.79 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.38 0.536 . . . . 0.0 110.662 170.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.8 mt -52.03 -49.49 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.237 1.015 . . . . 0.0 112.182 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -65.4 -18.28 65.19 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.43 -12.15 45.8 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.267 1.413 . . . . 0.0 115.058 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.7 mmt -86.92 -42.97 12.76 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.166 1.483 . . . . 0.0 114.539 -167.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -62.78 106.49 0.81 Allowed 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 118.938 0.79 . . . . 0.0 112.712 -161.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.88 -6.58 54.5 Favored Glycine 0 CA--C 1.539 1.584 0 N-CA-C 117.317 1.687 . . . . 0.0 117.317 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -63.53 155.54 29.11 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 120.708 2.254 . . . . 0.0 111.898 173.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -84.96 112.28 20.45 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.499 0.666 . . . . 0.0 111.941 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.26 126.52 45.27 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.445 1.498 . . . . 0.0 109.212 176.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.2 t70 48.86 32.73 3.9 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.528 1.931 . . . . 0.0 114.325 -162.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.4 70.2 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.63 1.109 . . . . 0.0 115.615 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -105.58 149.2 26.49 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.306 1.842 . . . . 0.0 110.426 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.9 m -78.99 112.16 15.91 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tt -72.44 154.24 7.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 122.044 0.926 . . . . 0.0 112.312 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.1 t -126.14 130.52 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 125.267 1.427 . . . . 0.0 107.84 168.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 m -117.09 137.89 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.437 1.095 . . . . 0.0 111.916 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -153.89 153.79 32.71 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.906 0.882 . . . . 0.0 111.841 158.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.07 142.77 53.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.417 1.087 . . . . 0.0 113.867 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 124.737 1.215 . . . . 0.0 114.214 -175.501 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 CA-C-O 122.267 1.032 . . . . 0.0 112.097 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -144.02 154.23 43.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.294 1.438 . . . . 0.0 111.35 165.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.4 p -126.02 152.71 45.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.55 0.69 . . . . 0.0 112.377 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -81.31 145.16 31.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.541 1.936 . . . . 0.0 110.168 170.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.79 145.67 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 126.433 1.893 . . . . 0.0 109.807 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.97 140.66 8.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 121.951 -0.468 . . . . 0.0 113.475 167.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.04 -16.1 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.354 2.662 . . . . 0.0 112.931 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.405 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 3.1 mt -74.96 166.72 23.2 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 122.475 1.131 . . . . 0.0 113.265 -158.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -144.69 179.43 7.31 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 128.849 2.859 . . . . 0.0 107.959 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.1 p90 -53.36 -15.11 0.89 Allowed 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -85.47 -38.53 18.51 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.578 1.151 . . . . 0.0 113.446 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.94 142.4 27.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.866 1.266 . . . . 0.0 112.91 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -148.07 -168.38 3.06 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -59.1 -20.13 50.74 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -56.05 26.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.351 1.06 . . . . 0.0 110.598 168.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.0 -41.89 94.99 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.482 1.039 . . . . 0.0 112.828 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.92 -45.16 94.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.487 1.144 . . . . 0.0 112.458 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.71 -47.67 83.78 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.694 -0.629 . . . . 0.0 111.488 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.02 72.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.035 0.534 . . . . 0.0 111.928 -175.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -28.54 68.96 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.347 -0.846 . . . . 0.0 113.259 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -90.44 -23.57 20.97 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 m -54.81 -26.43 34.8 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -57.07 -36.06 70.11 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.148 0.979 . . . . 0.0 113.071 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -88.9 -26.1 21.76 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.135 1.374 . . . . 0.0 112.912 -173.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.75 163.4 29.44 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 125.441 1.496 . . . . 0.0 110.761 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -68.93 133.04 47.66 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.226 1.013 . . . . 0.0 111.584 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 mm -93.6 133.24 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.093 1.357 . . . . 0.0 111.425 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.99 -26.9 14.86 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.479 1.112 . . . . 0.0 112.753 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -161.57 154.9 21.2 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.328 1.051 . . . . 0.0 111.264 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.05 150.72 35.63 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.042 1.337 . . . . 0.0 109.964 164.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -124.47 132.07 53.49 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.809 1.644 . . . . 0.0 111.406 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -102.33 140.63 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.751 1.22 . . . . 0.0 108.519 160.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.257 10.2 tp . . . . . 0 C--O 1.241 0.615 0 CA-C-O 123.757 1.741 . . . . 0.0 112.83 168.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -68.46 -41.79 79.7 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 119.513 1.052 . . . . 0.0 109.407 163.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.405 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 85.28 14.81 67.98 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.531 1.063 . . . . 0.0 114.435 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -118.13 169.71 9.46 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.555 1.942 . . . . 0.0 110.029 174.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.85 177.88 41.39 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.44 1.019 . . . . 0.0 113.791 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -114.27 158.21 21.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.715 1.206 . . . . 0.0 111.094 166.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.5 p -143.49 136.53 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.461 1.104 . . . . 0.0 110.733 167.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -121.83 129.05 52.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.296 1.438 . . . . 0.0 113.195 -166.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -93.1 -179.87 5.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.909 1.284 . . . . 0.0 113.486 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -105.51 -11.9 16.2 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.1 2.16 . . . . 0.0 114.488 173.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -152.46 159.38 43.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.823 1.649 . . . . 0.0 112.552 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.57 -43.97 79.35 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.097 1.359 . . . . 0.0 112.596 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -74.37 -33.19 63.01 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.143 0.977 . . . . 0.0 112.516 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.17 76.46 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.887 0.767 . . . . 0.0 112.033 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.11 -45.31 91.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.604 0.762 . . . . 0.0 111.765 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -73.94 -43.09 59.43 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.802 -0.561 . . . . 0.0 112.51 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -60.58 -36.06 77.61 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.261 1.025 . . . . 0.0 111.627 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.53 -57.63 4.56 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.063 0.545 . . . . 0.0 111.748 173.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.3 mt -51.08 -44.37 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.827 1.251 . . . . 0.0 111.96 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -69.24 -19.64 63.94 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.899 -1.125 . . . . 0.0 113.651 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.9 -3.04 58.2 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 126.903 2.192 . . . . 0.0 115.491 172.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.4 mmt -103.41 -28.22 11.94 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.191 1.797 . . . . 0.0 113.5 -174.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -54.75 97.61 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.101 1.36 . . . . 0.0 114.102 -168.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.44 8.42 66.06 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -65.42 157.23 29.94 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.023 1.911 . . . . 0.0 113.296 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -90.92 112.02 23.7 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.79 0.836 . . . . 0.0 110.415 169.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.65 133.51 52.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.861 1.264 . . . . 0.0 107.979 165.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.5 t0 50.57 28.65 3.56 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -172.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.74 3.93 90.33 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.754 1.645 . . . . 0.0 115.363 -174.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -115.72 127.07 54.86 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.396 1.879 . . . . 0.0 111.029 -170.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.6 m -78.42 110.23 13.3 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.838 0.855 . . . . 0.0 112.987 -170.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.7 pt -80.89 159.23 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.541 1.536 . . . . 0.0 114.403 -168.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.34 135.39 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.077 1.351 . . . . 0.0 108.749 166.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -120.54 130.52 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.905 2.082 . . . . 0.0 112.515 -174.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -156.34 156.58 34.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.587 1.155 . . . . 0.0 112.48 169.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -59.11 153.2 18.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 176.196 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 123.864 1.793 . . . . 0.0 108.569 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -145.99 133.88 21.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 129.671 3.189 . . . . 0.0 106.905 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -131.28 151.06 51.86 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.939 0.79 . . . . 0.0 113.101 -172.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -71.74 141.67 49.77 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.479 1.512 . . . . 0.0 109.856 165.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -132.42 99.16 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.305 1.442 . . . . 0.0 108.898 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.48 135.41 12.86 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.182 0.896 . . . . 0.0 111.199 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p 169.18 -35.43 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 126.744 2.018 . . . . 0.0 112.163 170.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.06 170.18 2.32 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 124.354 2.026 . . . . 0.0 114.355 -157.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.5 m -155.83 174.57 15.13 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.538 1.935 . . . . 0.0 108.414 -176.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -54.4 -25.96 27.65 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.748 1.158 . . . . 0.0 113.96 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -85.82 -21.64 28.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.222 2.209 . . . . 0.0 113.84 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.46 152.7 18.92 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.109 1.364 . . . . 0.0 112.356 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -148.82 -170.86 3.73 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 166.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.15 -28.48 64.75 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -176.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -65.55 -38.97 91.12 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.116 0.871 . . . . 0.0 112.025 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.22 -44.25 76.56 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.537 1.065 . . . . 0.0 112.962 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -69.15 -39.82 78.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 117.945 0.873 . . . . 0.0 112.006 172.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.32 -45.26 76.34 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.742 1.155 . . . . 0.0 110.897 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.87 -31.21 72.33 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.1 -36.51 61.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.294 0.638 . . . . 0.0 112.269 174.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -83.11 -24.12 32.76 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.6 t -59.77 -23.09 62.98 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.8 p -76.5 -11.3 59.85 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.864 -1.148 . . . . 0.0 113.506 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -95.67 -24.57 16.49 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.807 1.243 . . . . 0.0 112.81 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.88 -177.03 47.08 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.628 1.011 . . . . 0.0 115.628 175.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -74.48 116.05 14.72 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.958 0.903 . . . . 0.0 110.795 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.5 mm -81.22 143.77 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.647 1.179 . . . . 0.0 112.229 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.45 -44.52 6.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.963 1.305 . . . . 0.0 111.941 169.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -146.28 149.47 33.93 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -173.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.53 128.18 21.6 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.919 1.287 . . . . 0.0 109.137 159.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -105.65 153.37 21.91 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.989 1.716 . . . . 0.0 109.72 173.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.07 141.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 125.335 1.454 . . . . 0.0 109.532 167.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 123.847 0.859 . . . . 0.0 112.832 169.463 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -81.76 -32.12 31.61 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.337 -0.852 . . . . 0.0 111.153 163.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.02 37.51 93.22 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.275 0.941 . . . . 0.0 114.186 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -150.21 176.0 11.26 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.977 1.311 . . . . 0.0 111.666 172.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.6 -173.89 30.8 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.527 1.537 . . . . 0.0 112.236 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -116.34 159.91 21.25 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.295 0.638 . . . . 0.0 112.443 161.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.08 145.1 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.627 1.571 . . . . 0.0 109.883 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 136.33 47.04 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 119.483 1.038 . . . . 0.0 112.519 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -103.08 158.05 16.57 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.549 1.539 . . . . 0.0 112.794 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m -75.95 -27.6 57.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.666 1.186 . . . . 0.0 112.859 170.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -136.89 151.78 49.47 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.89 -51.47 26.01 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.479 1.512 . . . . 0.0 113.621 -168.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -70.68 -26.17 63.31 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.287 -0.883 . . . . 0.0 112.399 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.61 74.15 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.827 1.651 . . . . 0.0 111.843 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.8 tpt -58.39 -41.75 85.56 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.442 0.697 . . . . 0.0 111.487 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -70.56 -43.74 68.87 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.464 0.705 . . . . 0.0 111.846 -178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.07 -28.68 69.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.973 0.509 . . . . 0.0 111.914 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.92 -53.85 16.04 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.547 0.739 . . . . 0.0 111.815 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.5 mt -50.52 -46.96 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.531 1.132 . . . . 0.0 110.984 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.56 -18.4 40.5 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.129 1.372 . . . . 0.0 114.099 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.01 0.94 27.07 Favored Glycine 0 CA--C 1.542 1.748 0 C-N-CA 126.186 1.85 . . . . 0.0 115.844 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mmt -101.69 -33.94 9.67 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.308 1.554 . . . . 0.0 114.781 -170.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -53.5 113.54 1.2 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.481 0.713 . . . . 0.0 110.974 -173.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.97 6.24 89.08 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 117.722 -1.599 . . . . 0.0 116.772 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -58.82 143.89 45.95 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 120.135 1.967 . . . . 0.0 111.119 172.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -86.64 126.81 34.78 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.777 0.717 . . . . 0.0 111.562 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.43 135.68 27.01 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.556 1.942 . . . . 0.0 109.135 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t70 52.94 21.26 1.94 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -175.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.0 5.49 86.02 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.012 1.292 . . . . 0.0 115.344 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -120.36 163.33 18.02 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.724 2.41 . . . . 0.0 110.661 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.4 p -98.64 134.81 41.04 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.798 1.239 . . . . 0.0 112.342 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.5 mt -80.42 141.46 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.045 0.938 . . . . 0.0 112.315 -177.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.5 t -123.76 132.72 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.988 1.715 . . . . 0.0 109.342 165.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.01 137.54 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.015 1.326 . . . . 0.0 113.246 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -158.11 158.62 35.05 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.522 1.129 . . . . 0.0 111.248 162.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.4 150.81 25.36 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.416 0.686 . . . . 0.0 112.265 172.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -165.397 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.741 0.305 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -143.59 156.57 44.62 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 177.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.7 p -142.59 156.7 45.12 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.15 1.38 . . . . 0.0 112.632 -174.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -100.2 139.92 35.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.07 2.148 . . . . 0.0 110.791 174.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 m -135.4 139.28 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.68 1.592 . . . . 0.0 111.951 -173.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.27 124.92 6.23 Favored Glycine 0 N--CA 1.471 1.022 0 CA-C-O 118.846 -0.975 . . . . 0.0 110.902 167.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -171.42 -33.4 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.338 1.455 . . . . 0.0 113.873 -178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.37 156.58 28.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.506 1.522 . . . . 0.0 112.848 -165.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.7 p -122.31 177.2 5.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.705 2.002 . . . . 0.0 109.88 172.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.4 p90 -51.5 -26.71 8.83 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 171.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -102.9 -8.97 20.27 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.58 150.15 26.11 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.154 1.343 . . . . 0.0 110.902 168.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -142.8 -168.29 2.73 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 165.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -55.16 -33.44 62.94 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.283 -0.886 . . . . 0.0 112.631 -176.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -55.85 -40.43 72.85 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.927 1.291 . . . . 0.0 112.197 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.82 -31.1 56.69 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.598 1.094 . . . . 0.0 113.791 -176.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.6 mt -68.46 -55.0 13.32 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 117.94 0.87 . . . . 0.0 109.672 165.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.03 -45.53 64.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.386 1.874 . . . . 0.0 111.802 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.91 -24.02 59.63 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.57 -34.96 27.57 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.066 0.947 . . . . 0.0 112.442 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -84.37 -28.11 27.2 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.694 1.198 . . . . 0.0 113.703 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -59.59 -22.49 61.86 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.26 0.937 . . . . 0.0 112.981 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 m -68.8 -18.55 64.2 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.163 -0.961 . . . . 0.0 113.316 175.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -84.33 -40.52 17.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.127 -0.983 . . . . 0.0 111.926 174.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.86 -170.68 42.01 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.758 0.694 . . . . 0.0 113.794 174.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -61.97 116.47 4.92 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.805 0.842 . . . . 0.0 112.53 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.7 mm -86.13 136.8 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.489 1.116 . . . . 0.0 110.278 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -91.78 -45.22 8.53 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.885 0.874 . . . . 0.0 111.63 173.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.52 155.94 25.08 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.35 149.74 44.53 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.399 0.68 . . . . 0.0 110.642 163.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -104.91 137.28 42.91 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.174 1.39 . . . . 0.0 109.476 171.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.67 144.2 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 124.532 1.133 . . . . 0.0 109.273 158.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.285 10.6 tp . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -97.63 -39.26 9.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.088 0.955 . . . . 0.0 110.109 162.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.78 16.26 60.14 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.882 1.23 . . . . 0.0 115.034 169.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -134.9 166.92 21.88 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.001 1.32 . . . . 0.0 111.713 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.9 175.07 38.45 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.727 1.156 . . . . 0.0 113.217 -175.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.88 154.21 27.89 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.56 1.144 . . . . 0.0 110.191 168.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.2 t -139.57 131.85 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.266 1.426 . . . . 0.0 110.494 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.5 m -121.1 132.28 54.77 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.227 1.811 . . . . 0.0 113.035 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -108.95 159.58 16.7 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.06 2.144 . . . . 0.0 112.0 -176.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -84.37 -27.12 27.9 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -143.43 155.88 44.51 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.519 1.527 . . . . 0.0 111.127 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -72.61 -45.88 56.93 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -166.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -66.49 -26.03 66.98 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.0 -1.062 . . . . 0.0 112.983 -170.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.52 72.15 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.847 1.259 . . . . 0.0 112.618 170.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.7 ttp -60.83 -39.49 89.25 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.679 0.672 . . . . 0.0 111.147 172.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -69.84 -44.8 69.16 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.41 0.684 . . . . 0.0 112.208 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.33 -32.24 73.79 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.432 0.693 . . . . 0.0 111.482 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.85 -60.05 3.77 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.656 171.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.47 -39.63 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 O-C-N 120.797 -1.19 . . . . 0.0 112.79 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.3 -28.38 69.69 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.257 1.023 . . . . 0.0 112.929 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.32 -43.22 5.33 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.183 -0.948 . . . . 0.0 114.292 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.4 mmt -69.06 -28.0 66.14 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.078 1.751 . . . . 0.0 115.616 -161.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -55.75 92.23 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.831 1.252 . . . . 0.0 113.974 -171.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.77 8.11 58.4 Favored Glycine 0 CA--C 1.541 1.705 0 C-N-CA 126.418 1.961 . . . . 0.0 116.522 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -73.31 155.94 38.94 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.711 1.756 . . . . 0.0 114.946 -172.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -80.74 101.89 9.59 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.623 1.569 . . . . 0.0 110.919 164.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 tp -129.65 129.5 44.38 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.245 1.418 . . . . 0.0 110.92 -172.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.23 27.9 3.82 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.38 12.71 84.02 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.784 1.183 . . . . 0.0 114.842 -176.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -120.91 155.3 34.49 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.256 2.223 . . . . 0.0 112.035 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.7 p -78.7 111.38 14.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.217 0.607 . . . . 0.0 110.94 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.7 tt -98.1 140.11 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 122.171 0.986 . . . . 0.0 113.625 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 78.0 t -119.58 141.88 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.73 2.012 . . . . 0.0 108.318 172.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.53 141.77 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.934 1.294 . . . . 0.0 113.176 -176.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -152.43 157.14 40.78 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.758 0.823 . . . . 0.0 111.41 155.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.06 153.17 18.4 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.374 1.07 . . . . 0.0 112.915 172.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.916 0 C-N-CA 125.365 1.466 . . . . 0.0 113.276 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 CA--C 1.542 0.659 0 CA-C-O 121.356 0.598 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.2 ttp-105 -136.94 140.71 42.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.403 1.481 . . . . 0.0 111.607 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -142.33 155.99 45.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.526 1.13 . . . . 0.0 113.879 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -81.95 149.69 28.07 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.654 2.781 . . . . 0.0 112.657 176.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.57 132.47 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.375 1.87 . . . . 0.0 112.28 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.29 121.1 2.9 Favored Glycine 0 CA--C 1.54 1.651 0 N-CA-C 115.365 0.906 . . . . 0.0 115.365 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.67 -21.09 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 127.748 2.419 . . . . 0.0 113.918 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -75.58 163.39 27.4 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.982 1.313 . . . . 0.0 114.248 -148.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -106.04 171.08 7.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.291 1.836 . . . . 0.0 111.41 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -54.27 -14.29 1.12 Allowed 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.55 -1.343 . . . . 0.0 114.281 163.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -115.21 -20.46 10.38 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.37 138.53 38.58 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 120.69 1.586 . . . . 0.0 110.007 174.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -147.94 -170.01 3.47 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.38 -21.22 3.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.352 2.261 . . . . 0.0 115.287 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -81.91 -37.08 27.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.537 1.135 . . . . 0.0 113.599 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.8 -39.57 39.12 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.514 1.054 . . . . 0.0 112.272 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 mt -54.52 -51.39 65.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.563 0.745 . . . . 0.0 111.765 165.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.52 -42.03 70.39 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.667 0.787 . . . . 0.0 112.526 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.33 -43.17 82.24 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.292 0.951 . . . . 0.0 113.117 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.36 81.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.69 0.796 . . . . 0.0 112.092 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -74.38 -24.39 59.13 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.385 -0.822 . . . . 0.0 112.629 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.6 m -61.88 -18.01 58.63 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.225 -0.922 . . . . 0.0 113.3 173.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 t -57.83 -21.35 41.9 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.81 -1.181 . . . . 0.0 113.467 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.12 -33.67 10.69 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.69 -164.9 32.33 Favored Glycine 0 N--CA 1.475 1.238 0 CA-C-N 119.229 0.922 . . . . 0.0 113.121 -174.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -92.56 145.14 24.67 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.597 1.199 . . . . 0.0 112.963 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.4 mm -96.67 141.06 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.837 1.655 . . . . 0.0 111.969 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.3 mt -95.26 -42.71 8.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.964 1.306 . . . . 0.0 111.709 168.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -169.92 159.27 7.72 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.94 152.05 39.6 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.415 1.486 . . . . 0.0 112.063 173.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -118.83 145.11 45.92 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.241 1.816 . . . . 0.0 110.953 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.1 145.72 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.426 1.491 . . . . 0.0 108.988 161.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 123.02 1.39 . . . . 0.0 112.133 163.103 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -79.15 -28.28 42.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.603 0.761 . . . . 0.0 112.441 -174.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.57 23.17 70.93 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.797 0.713 . . . . 0.0 114.876 171.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -141.51 172.38 12.76 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.563 1.145 . . . . 0.0 112.168 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.64 -177.54 41.39 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.547 1.07 . . . . 0.0 113.631 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -116.1 158.95 22.41 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.142 1.377 . . . . 0.0 111.569 169.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -145.66 141.87 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.698 1.599 . . . . 0.0 110.641 172.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -133.57 137.57 45.58 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.534 1.534 . . . . 0.0 112.941 -167.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -114.38 153.8 29.2 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.254 1.821 . . . . 0.0 113.988 -172.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.8 p -74.85 -10.41 59.47 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -143.99 156.28 44.34 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.356 1.863 . . . . 0.0 113.034 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -76.65 -43.06 39.69 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.836 1.254 . . . . 0.0 113.323 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -69.88 -36.27 75.32 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.494 -0.754 . . . . 0.0 111.883 -172.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.21 86.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.809 0.843 . . . . 0.0 112.677 168.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 47.7 ttp -62.93 -43.04 99.87 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.643 0.656 . . . . 0.0 111.764 175.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -72.37 -42.22 65.51 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.538 -0.727 . . . . 0.0 112.108 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.59 -34.96 76.52 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.367 0.667 . . . . 0.0 111.724 172.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.69 -58.49 6.72 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.623 0.647 . . . . 0.0 110.781 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.4 mm -50.63 -41.79 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.656 1.183 . . . . 0.0 112.736 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.28 -15.59 63.34 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -114.1 -16.48 7.81 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.833 1.206 . . . . 0.0 115.555 170.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.8 mmt -77.39 -26.2 51.58 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -171.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -58.26 100.75 0.07 Allowed 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 120.481 1.491 . . . . 0.0 110.833 174.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.32 7.19 70.03 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.745 1.64 . . . . 0.0 117.061 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -70.74 141.23 51.5 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 120.949 2.374 . . . . 0.0 112.594 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.33 97.04 9.74 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -173.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mp -110.97 125.57 53.84 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.999 1.32 . . . . 0.0 111.301 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t0 48.57 36.54 7.69 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.268 1.427 . . . . 0.0 113.373 -170.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.98 0.53 89.01 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.027 1.775 . . . . 0.0 115.17 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -118.86 124.66 47.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.958 1.703 . . . . 0.0 111.816 -171.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.6 m -66.76 113.94 5.25 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.262 1.425 . . . . 0.0 110.871 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.0 tt -84.52 159.94 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.184 0.993 . . . . 0.0 113.547 -167.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -123.36 138.63 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.34 1.856 . . . . 0.0 108.22 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 m -138.35 142.47 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -170.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -153.74 161.28 42.24 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.595 1.158 . . . . 0.0 111.186 161.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.94 153.79 20.36 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.852 -1.155 . . . . 0.0 113.392 174.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.932 0 C-N-CA 125.748 1.619 . . . . 0.0 112.947 -179.496 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.821 0 CA-C-O 121.932 0.872 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.2 ttm105 -146.94 149.41 33.15 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.315 1.846 . . . . 0.0 111.825 -177.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.91 155.89 49.17 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.507 0.723 . . . . 0.0 112.907 170.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -76.35 149.86 36.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.54 1.936 . . . . 0.0 111.931 165.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.16 129.9 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.41 1.884 . . . . 0.0 110.488 172.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.36 122.32 5.01 Favored Glycine 0 N--CA 1.476 1.343 0 C-N-CA 123.695 0.664 . . . . 0.0 112.929 172.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 p -176.91 -24.46 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.185 1.794 . . . . 0.0 115.17 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.33 167.41 10.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.503 1.521 . . . . 0.0 114.088 -161.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -143.67 177.6 8.39 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.589 1.556 . . . . 0.0 112.078 -163.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -50.65 -22.07 1.87 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 167.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -113.75 -19.76 11.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.601 1.561 . . . . 0.0 114.667 -173.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.17 153.76 20.27 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.596 1.158 . . . . 0.0 112.434 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.89 -173.42 3.98 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.141 0.976 . . . . 0.0 112.797 168.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -46.0 -35.74 5.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.861 1.264 . . . . 0.0 113.274 162.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -59.75 -31.52 69.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.614 1.165 . . . . 0.0 114.115 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.69 -32.14 28.05 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.46 1.029 . . . . 0.0 113.425 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.43 -42.9 87.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.829 0.851 . . . . 0.0 111.003 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -54.06 -49.99 67.75 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.925 1.69 . . . . 0.0 111.74 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.19 90.15 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.723 -0.611 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.85 69.11 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -101.11 -20.65 15.25 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -174.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 m -57.13 -17.76 12.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 -167.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.8 p -84.63 -12.57 53.72 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 120.331 1.423 . . . . 0.0 114.751 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -86.72 -48.24 8.43 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.055 1.342 . . . . 0.0 110.134 169.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.39 150.99 20.33 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.353 0.977 . . . . 0.0 113.429 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -75.57 127.76 33.79 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.859 0.863 . . . . 0.0 111.103 173.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 mm -59.69 134.07 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -164.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tt -87.03 -44.85 11.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.515 1.526 . . . . 0.0 110.036 168.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -161.04 148.91 15.63 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.856 1.262 . . . . 0.0 110.031 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.52 139.55 35.09 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.482 0.658 . . . . 0.0 111.651 159.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -100.96 140.0 35.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.503 1.521 . . . . 0.0 108.632 176.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.71 134.6 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 124.044 0.938 . . . . 0.0 109.913 169.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 CA--C 1.545 0.769 0 CA-C-O 122.6 1.19 . . . . 0.0 112.192 174.18 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 121.039 0.447 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -69.34 -25.68 64.32 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.261 1.025 . . . . 0.0 112.122 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.72 17.64 63.28 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 115.42 0.928 . . . . 0.0 115.42 163.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -140.32 168.61 19.39 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.231 -1.158 . . . . 0.0 112.294 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.36 -177.87 37.38 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.639 1.114 . . . . 0.0 114.22 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -113.38 155.19 25.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.923 1.289 . . . . 0.0 110.901 165.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.65 144.5 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.29 1.436 . . . . 0.0 109.561 168.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.8 t -142.2 147.5 36.65 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.059 1.343 . . . . 0.0 113.188 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -130.69 154.91 47.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.56 1.944 . . . . 0.0 110.901 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 p -64.92 0.23 1.28 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -136.92 147.03 46.15 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.841 1.2 . . . . 0.0 112.427 171.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -78.02 -38.85 43.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.214 1.406 . . . . 0.0 112.4 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -58.74 -50.74 72.81 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.014 0.926 . . . . 0.0 112.088 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -32.27 72.03 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.7 tpt -61.6 -41.55 97.59 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.727 0.694 . . . . 0.0 110.961 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -78.22 -33.52 49.83 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.883 0.873 . . . . 0.0 112.809 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.86 -33.63 70.67 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.894 0.878 . . . . 0.0 111.964 170.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.37 -49.65 21.81 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.778 0.831 . . . . 0.0 112.366 173.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 71.4 mt -50.2 -41.16 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 125.204 1.402 . . . . 0.0 111.833 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -57.64 -43.06 84.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.652 0.781 . . . . 0.0 112.747 177.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.43 -37.95 39.8 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 121.777 -0.577 . . . . 0.0 113.948 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.1 mmt -62.98 -32.61 74.0 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.215 1.406 . . . . 0.0 113.782 -175.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -46.62 99.82 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.555 1.542 . . . . 0.0 112.736 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.67 20.41 79.62 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-O 118.177 -1.346 . . . . 0.0 115.942 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -81.38 156.82 25.25 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.856 1.828 . . . . 0.0 113.12 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.38 120.13 21.96 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.424 -0.798 . . . . 0.0 110.586 161.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.13 129.12 33.38 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.723 2.009 . . . . 0.0 109.256 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.3 t70 52.88 23.42 2.81 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.378 -0.826 . . . . 0.0 112.584 -163.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.91 -13.67 23.75 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 126.413 1.959 . . . . 0.0 115.685 -169.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -88.14 148.35 24.47 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.025 2.13 . . . . 0.0 110.869 -174.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.7 m -80.93 109.72 15.78 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.694 -0.629 . . . . 0.0 110.652 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.9 tt -90.0 152.9 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.048 0.939 . . . . 0.0 112.658 -173.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.0 t -131.43 139.98 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.838 1.655 . . . . 0.0 108.345 171.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.54 142.55 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.525 1.53 . . . . 0.0 112.496 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -149.95 152.98 35.84 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.365 0.603 . . . . 0.0 112.352 162.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.88 147.95 41.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.825 1.25 . . . . 0.0 113.359 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -172.482 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 121.834 0.826 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.61 155.09 42.21 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 170.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.2 p -132.23 151.18 51.94 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.865 1.266 . . . . 0.0 112.099 176.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -77.49 143.54 38.4 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.024 1.33 . . . . 0.0 110.016 165.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 t -141.35 140.36 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.036 1.734 . . . . 0.0 109.328 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.61 127.18 1.92 Allowed Glycine 0 N--CA 1.472 1.083 0 O-C-N 120.645 -1.284 . . . . 0.0 114.661 168.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.401 ' HG ' ' HB2' ' A' ' 78' ' ' ARG . 1.4 t -166.44 3.48 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.997 2.119 . . . . 0.0 113.27 -177.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.41 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 6.5 mt -96.95 166.47 11.59 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 123.437 1.589 . . . . 0.0 112.899 -154.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -148.54 179.37 7.86 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.833 1.653 . . . . 0.0 110.359 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -46.02 -27.07 0.84 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 163.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.85 -40.52 22.34 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 120.038 1.29 . . . . 0.0 113.319 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.94 151.1 21.87 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.106 0.963 . . . . 0.0 112.776 -174.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -150.04 -169.8 3.47 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.2 -0.938 . . . . 0.0 113.055 169.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -52.38 -34.11 46.36 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.626 1.103 . . . . 0.0 113.319 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -61.56 -30.32 70.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.829 0.852 . . . . 0.0 112.367 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.32 -37.45 36.49 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 125.051 1.31 . . . . 0.0 113.575 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.02 -45.39 63.99 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.474 1.137 . . . . 0.0 111.231 171.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.94 -35.69 64.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.923 1.289 . . . . 0.0 111.304 176.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.12 -36.95 39.8 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.35 -26.08 59.92 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -95.67 -23.28 17.08 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.57 1.148 . . . . 0.0 113.595 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 p -65.06 -16.16 63.15 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 p -68.48 -16.77 64.01 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.808 -1.183 . . . . 0.0 114.069 169.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -96.6 -26.71 15.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.754 1.221 . . . . 0.0 114.101 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.05 -167.35 39.44 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 114.916 0.726 . . . . 0.0 114.916 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -94.98 118.78 32.39 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.281 1.433 . . . . 0.0 111.06 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.2 mm -70.74 144.39 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.712 1.205 . . . . 0.0 112.598 -171.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -99.76 -49.4 4.38 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.409 1.484 . . . . 0.0 111.179 168.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -155.02 152.37 29.56 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.574 1.15 . . . . 0.0 111.567 -175.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.58 119.56 9.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.39 1.476 . . . . 0.0 108.655 166.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.91 142.1 31.84 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.291 1.436 . . . . 0.0 109.517 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.52 139.41 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 125.303 1.441 . . . . 0.0 109.578 166.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.9 tt . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.852 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -70.37 -33.8 71.86 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.227 0.921 . . . . 0.0 111.244 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 91.7 14.94 56.01 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.783 1.182 . . . . 0.0 114.602 172.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -128.43 167.95 16.3 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.671 1.988 . . . . 0.0 111.388 -174.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.46 165.66 37.45 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.16 1.362 . . . . 0.0 113.144 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -113.91 133.43 55.46 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.073 0.949 . . . . 0.0 109.134 167.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.4 t -127.23 140.1 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.348 1.059 . . . . 0.0 110.555 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.6 t -140.03 149.07 42.73 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.318 1.447 . . . . 0.0 112.479 -172.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.43 150.91 30.16 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.083 1.753 . . . . 0.0 110.766 -161.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.1 m -80.89 -7.83 59.58 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -162.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -142.43 154.4 44.55 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.178 1.354 . . . . 0.0 113.57 -174.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -73.0 -42.95 62.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.981 0.912 . . . . 0.0 113.318 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -63.44 -34.69 78.3 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.273 -0.892 . . . . 0.0 111.376 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.92 -47.87 78.83 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.665 0.786 . . . . 0.0 111.903 172.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.4 -45.94 84.0 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.606 0.762 . . . . 0.0 111.604 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -80.61 -35.56 33.91 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -169.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -72.86 -31.55 64.82 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.87 0.759 . . . . 0.0 111.327 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.04 -57.72 7.12 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.292 0.497 . . . . 0.0 110.865 171.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.4 mm -52.86 -40.15 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.205 1.002 . . . . 0.0 112.225 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -63.37 -23.89 67.61 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 173.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.39 -12.12 34.18 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.038 1.304 . . . . 0.0 115.966 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.9 mmt -95.31 -35.79 11.65 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.428 1.614 . . . . 0.0 114.956 -168.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -64.88 109.79 2.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.665 1.12 . . . . 0.0 110.97 -172.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.46 19.62 71.0 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 118.303 -1.276 . . . . 0.0 115.405 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -65.7 -172.85 0.13 Allowed 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.802 1.801 . . . . 0.0 111.436 169.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -114.02 140.88 48.08 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.117 -0.989 . . . . 0.0 109.871 154.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.66 135.4 26.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.716 0.807 . . . . 0.0 110.795 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.8 t70 48.36 26.46 1.12 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.617 1.167 . . . . 0.0 113.854 -169.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.34 13.99 79.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 126.091 1.805 . . . . 0.0 115.762 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HB2' ' HG ' ' A' ' 15' ' ' SER . 10.4 mmm180 -124.17 164.11 20.16 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.171 2.189 . . . . 0.0 110.886 -170.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.5 p -82.86 121.48 26.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.357 0.663 . . . . 0.0 111.735 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.9 tt -104.55 147.97 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.209 1.004 . . . . 0.0 113.157 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.9 t -126.25 144.95 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.814 2.046 . . . . 0.0 109.344 170.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.0 m -136.56 146.93 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.148 1.379 . . . . 0.0 112.184 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -155.83 162.07 40.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.492 0.717 . . . . 0.0 112.153 152.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -59.73 152.19 23.34 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.106 -0.996 . . . . 0.0 113.2 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.01 0 C-N-CA 126.135 1.774 . . . . 0.0 112.241 -179.424 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 . . . . . 0 CA--C 1.553 1.093 0 CA-C-O 121.461 0.648 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -144.9 145.25 31.49 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.313 2.245 . . . . 0.0 111.87 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.26 159.56 41.86 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.514 1.126 . . . . 0.0 113.579 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -79.33 150.73 31.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.202 1.801 . . . . 0.0 111.862 170.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.6 m -138.08 115.78 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.645 1.578 . . . . 0.0 110.844 170.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.94 123.2 7.37 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.211 0.91 . . . . 0.0 111.694 172.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 176.22 -27.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.544 1.537 . . . . 0.0 114.6 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.69 165.99 18.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 122.334 1.064 . . . . 0.0 113.455 -156.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.9 p -151.48 177.57 10.17 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.922 1.289 . . . . 0.0 111.005 -167.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -50.04 -20.57 0.99 Allowed 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 162.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -102.97 -36.07 8.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.132 1.773 . . . . 0.0 114.22 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.58 147.15 24.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.181 0.992 . . . . 0.0 111.517 -174.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.79 -174.55 4.65 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.0 -35.05 77.38 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.507 -0.746 . . . . 0.0 112.923 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -61.79 -46.6 88.83 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.362 1.065 . . . . 0.0 112.881 -176.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.89 -40.93 84.28 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 118.303 0.501 . . . . 0.0 113.065 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.27 -42.33 75.68 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.48 0.712 . . . . 0.0 112.218 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -57.19 -41.75 79.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.549 1.14 . . . . 0.0 111.693 173.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.41 78.49 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.27 72.47 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -72.49 -33.31 66.86 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.079 -1.013 . . . . 0.0 111.401 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -57.89 -20.9 40.36 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 174.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -66.77 -25.37 66.45 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 173.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -87.99 -36.08 17.25 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.214 0.915 . . . . 0.0 113.232 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.67 -161.19 29.04 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 123.797 0.713 . . . . 0.0 113.292 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.18 129.07 35.47 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -171.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.4 tp -107.93 149.5 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.573 . . . . 0.0 112.892 -165.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -117.16 -60.71 1.8 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.183 0.993 . . . . 0.0 113.369 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.75 161.49 38.48 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.072 -1.642 . . . . 0.0 113.109 -177.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -137.49 148.15 45.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 122.88 0.472 . . . . 0.0 111.903 162.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -106.27 136.5 45.88 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.739 2.016 . . . . 0.0 110.555 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.24 138.57 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.152 1.381 . . . . 0.0 109.547 166.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 122.15 0.976 . . . . 0.0 113.386 166.065 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 121.393 0.616 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -68.04 -32.04 72.11 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.826 1.25 . . . . 0.0 113.302 -170.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.92 32.61 60.74 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 167.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -138.62 169.82 17.11 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.929 1.291 . . . . 0.0 110.611 168.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.82 167.84 28.75 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.241 0.925 . . . . 0.0 112.63 173.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -113.69 137.73 51.21 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.197 0.999 . . . . 0.0 109.833 166.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -129.34 143.7 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.467 1.507 . . . . 0.0 111.569 -175.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m -132.79 142.05 48.8 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.531 1.532 . . . . 0.0 111.611 -164.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -143.65 152.84 41.86 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.279 1.432 . . . . 0.0 110.65 -168.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.1 m -96.0 -17.8 20.72 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -169.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.46 152.7 40.01 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 122.574 1.178 . . . . 0.0 113.418 -170.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -82.4 -39.17 23.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.368 1.467 . . . . 0.0 113.981 -166.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -66.63 -38.34 86.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.546 0.612 . . . . 0.0 111.017 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.09 74.4 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.607 0.763 . . . . 0.0 112.262 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.3 ttt -62.42 -30.43 71.22 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -85.17 -52.79 5.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.501 1.046 . . . . 0.0 112.71 171.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -54.96 -39.78 69.29 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.816 0.846 . . . . 0.0 112.409 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.04 -56.94 5.09 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 123.56 0.744 . . . . 0.0 111.941 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.6 mm -57.58 -37.44 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.339 1.427 . . . . 0.0 112.227 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -70.05 -38.42 75.82 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.39 -32.64 24.78 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.787 1.184 . . . . 0.0 115.249 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -39.61 94.85 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.026 2.13 . . . . 0.0 111.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -47.56 106.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.241 1.016 . . . . 0.0 113.221 -173.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.82 18.79 74.47 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 118.5 -1.166 . . . . 0.0 115.408 173.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -74.17 140.52 45.21 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.049 1.924 . . . . 0.0 112.496 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -84.72 114.68 22.22 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.034 1.334 . . . . 0.0 110.017 173.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 tp -149.1 133.11 17.17 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.454 1.102 . . . . 0.0 110.697 -166.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 51.33 20.3 0.93 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -169.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.86 15.58 81.03 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.003 -1.685 . . . . 0.0 114.477 -170.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -112.05 178.96 4.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.898 2.879 . . . . 0.0 109.136 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.8 m -119.08 112.11 19.13 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.134 0.574 . . . . 0.0 110.017 166.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.3 pt -76.19 126.8 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 122.243 1.02 . . . . 0.0 111.663 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.6 t -122.33 130.31 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 125.635 1.574 . . . . 0.0 108.651 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.4 m -121.72 140.85 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.373 1.069 . . . . 0.0 113.695 -168.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -156.23 166.71 32.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.387 1.475 . . . . 0.0 111.677 157.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.75 154.19 18.75 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.869 1.668 . . . . 0.0 114.277 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.945 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 178.576 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 CA--C 1.545 0.755 0 CA-C-O 120.866 0.365 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -139.98 136.71 34.05 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.737 1.615 . . . . 0.0 111.222 -173.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 p -147.68 156.94 43.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.752 0.821 . . . . 0.0 112.92 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -75.64 146.83 39.99 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.808 1.643 . . . . 0.0 111.907 171.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.63 109.55 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.902 1.681 . . . . 0.0 110.408 172.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.03 121.66 6.99 Favored Glycine 0 N--CA 1.471 1.031 0 CA-C-O 119.247 -0.752 . . . . 0.0 112.432 174.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.9 p -178.8 -20.59 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.23 1.812 . . . . 0.0 113.95 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 mt -64.76 166.8 8.33 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 122.509 1.147 . . . . 0.0 112.613 -165.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -132.47 167.34 20.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.959 2.104 . . . . 0.0 109.308 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -50.65 -5.42 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -128.01 -6.95 5.48 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.563 1.545 . . . . 0.0 114.876 169.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.78 145.05 29.75 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.541 1.518 . . . . 0.0 109.187 172.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.21 -168.75 3.19 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 173.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -58.07 -20.04 36.49 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -61.07 -47.61 85.55 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.501 1.12 . . . . 0.0 111.61 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.8 -44.1 48.7 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 123.528 0.585 . . . . 0.0 112.553 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.7 mt -54.28 -48.38 71.3 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.462 0.705 . . . . 0.0 112.226 172.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -53.1 -43.0 66.5 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.988 0.915 . . . . 0.0 112.302 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.03 -35.37 56.99 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.5 -39.16 74.31 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.332 0.515 . . . . 0.0 111.802 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -79.98 -26.3 40.01 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.6 m -55.59 -25.06 36.37 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 171.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 m -66.93 -26.66 66.96 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -90.72 -23.65 20.64 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.6 -148.35 9.35 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.391 0.996 . . . . 0.0 113.159 174.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.29 107.7 19.31 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.699 -0.883 . . . . 0.0 112.151 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 tp -68.53 143.85 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.147 1.379 . . . . 0.0 111.869 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.2 tp -116.82 -41.25 3.06 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.469 1.108 . . . . 0.0 113.697 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -157.6 158.61 35.88 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.925 -1.109 . . . . 0.0 111.956 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.18 151.86 36.27 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 144.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -113.97 138.26 50.59 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.99 2.516 . . . . 0.0 111.653 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.83 133.43 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.934 1.294 . . . . 0.0 110.254 165.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.329 11.4 tp . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 123.537 1.637 . . . . 0.0 114.673 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -69.07 -34.89 75.87 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 165.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.14 77.48 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.259 0.933 . . . . 0.0 113.092 174.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -132.1 174.94 9.68 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.048 1.739 . . . . 0.0 109.059 169.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.17 -177.27 28.28 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 124.087 0.851 . . . . 0.0 112.098 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -110.1 148.11 32.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.811 0.844 . . . . 0.0 108.788 167.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.08 137.89 48.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 124.225 1.01 . . . . 0.0 109.86 171.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 m -129.22 144.2 51.13 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.047 0.939 . . . . 0.0 112.596 -172.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -113.43 161.25 17.54 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.838 1.655 . . . . 0.0 111.88 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.1 p -115.8 8.45 14.84 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 169.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -130.48 141.22 50.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.52 1.128 . . . . 0.0 111.024 166.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.86 -53.87 47.55 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.527 1.531 . . . . 0.0 114.035 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.59 -32.37 71.08 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.238 -0.914 . . . . 0.0 112.262 -176.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -35.15 73.88 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.347 0.659 . . . . 0.0 112.645 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.1 ttt -60.69 -45.18 95.16 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.162 0.585 . . . . 0.0 111.56 173.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -81.02 -33.06 33.87 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.718 -0.613 . . . . 0.0 112.625 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -67.63 -33.6 75.3 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.311 -0.868 . . . . 0.0 111.278 173.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.24 -60.41 2.48 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.98 0.512 . . . . 0.0 111.291 168.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.68 -34.59 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -172.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -74.11 -25.76 59.97 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.749 1.613 . . . . 0.0 113.443 173.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.57 -22.54 36.59 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.875 1.226 . . . . 0.0 115.486 174.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.7 mmt -77.53 -37.03 51.78 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.92 1.688 . . . . 0.0 113.355 -174.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -68.82 107.17 2.95 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.798 0.808 . . . . 0.0 112.521 -162.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.11 7.68 73.23 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.504 1.526 . . . . 0.0 115.377 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -68.3 154.9 40.84 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.979 1.889 . . . . 0.0 111.314 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.12 129.59 38.41 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.794 -0.566 . . . . 0.0 111.625 156.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.18 127.7 23.04 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.877 2.071 . . . . 0.0 107.529 170.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.1 t70 54.76 22.19 4.01 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -165.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.73 -3.36 64.4 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.943 2.211 . . . . 0.0 115.555 -172.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -98.34 146.11 26.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.327 2.251 . . . . 0.0 110.674 -177.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 t -76.16 117.56 17.99 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.039 0.536 . . . . 0.0 110.025 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.5 tt -97.41 145.91 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.096 0.958 . . . . 0.0 112.981 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.6 t -127.95 136.74 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.76 1.224 . . . . 0.0 108.871 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.7 m -122.72 130.12 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.246 1.018 . . . . 0.0 112.069 -172.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -151.71 148.8 28.35 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.87 0.868 . . . . 0.0 112.531 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.37 142.8 51.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.676 1.591 . . . . 0.0 113.715 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 176.117 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.5 p90 . . . . . 0 CA--C 1.54 0.594 0 CA-C-O 123.03 1.395 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 ttm105 -143.81 144.41 31.77 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 128.303 2.641 . . . . 0.0 107.666 174.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -139.16 149.35 44.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -176.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -77.9 144.4 36.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.918 1.687 . . . . 0.0 110.541 171.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.03 113.76 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.68 1.592 . . . . 0.0 110.472 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.3 128.21 9.39 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.395 0.997 . . . . 0.0 110.933 169.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 m -174.76 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.8 1.64 . . . . 0.0 113.066 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 mt -71.02 165.05 24.31 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 122.863 1.316 . . . . 0.0 113.368 -152.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.0 p -154.19 179.51 8.89 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 125.418 1.487 . . . . 0.0 109.605 -168.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -46.33 -36.08 5.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 167.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -92.51 -23.18 19.19 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.29 150.64 21.84 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.223 1.009 . . . . 0.0 112.722 -175.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -149.91 -177.92 6.18 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -60.67 -35.32 75.96 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.357 -0.839 . . . . 0.0 112.751 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -24.99 63.72 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.468 -0.77 . . . . 0.0 112.508 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.78 -41.71 41.29 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.044 0.831 . . . . 0.0 113.187 174.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.9 mt -59.51 -47.37 85.78 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.745 0.818 . . . . 0.0 111.513 168.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.09 -48.47 81.6 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.798 -0.564 . . . . 0.0 112.192 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.51 -23.74 62.71 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.68 80.11 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.382 -0.824 . . . . 0.0 111.914 169.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.6 -3.72 23.46 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -169.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.5 p -57.84 -16.67 12.42 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.925 2.195 . . . . 0.0 116.925 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -88.86 -13.54 39.0 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.589 -1.32 . . . . 0.0 114.402 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -75.12 -31.08 61.02 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.546 -1.346 . . . . 0.0 111.089 168.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.64 169.98 38.65 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.966 1.269 . . . . 0.0 113.023 168.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.07 145.64 56.04 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.252 1.021 . . . . 0.0 111.725 172.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.7 tp -99.91 145.64 10.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 125.252 1.421 . . . . 0.0 112.192 -169.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 tp -106.42 -42.92 4.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.246 1.418 . . . . 0.0 112.677 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.19 163.22 13.18 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.941 1.696 . . . . 0.0 111.644 172.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.46 148.59 39.75 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.695 -0.628 . . . . 0.0 110.955 161.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 44.1 tptt -104.83 138.18 41.48 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.497 2.319 . . . . 0.0 109.712 176.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.35 139.33 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.045 1.338 . . . . 0.0 109.277 165.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.252 10.8 tp . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 123.242 1.496 . . . . 0.0 114.932 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -79.79 -39.63 30.44 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.294 -0.879 . . . . 0.0 109.747 164.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.09 19.12 47.89 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.534 1.064 . . . . 0.0 114.494 170.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -146.02 175.16 10.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.751 1.22 . . . . 0.0 111.064 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.82 -161.91 25.4 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.153 0.882 . . . . 0.0 112.348 168.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.452 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 60.7 m-85 -112.97 156.33 23.21 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.424 1.49 . . . . 0.0 111.261 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.0 p -141.91 144.08 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.809 1.243 . . . . 0.0 110.981 173.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -133.77 122.98 24.08 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.516 1.526 . . . . 0.0 110.62 -167.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -91.57 164.01 13.93 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.705 0.802 . . . . 0.0 110.786 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.9 p -93.15 -6.23 48.36 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -137.45 154.54 49.9 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.453 1.501 . . . . 0.0 112.99 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -77.93 -50.71 11.65 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.633 1.173 . . . . 0.0 113.683 -167.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.35 -36.2 77.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.59 0.756 . . . . 0.0 111.709 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.26 97.37 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.905 1.282 . . . . 0.0 112.206 175.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.29 -41.49 96.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.075 0.55 . . . . 0.0 112.245 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -75.98 -31.38 58.95 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.312 -0.868 . . . . 0.0 113.112 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -73.73 -29.66 62.37 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.9 0.773 . . . . 0.0 111.48 170.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.65 71.78 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.534 171.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.6 mm -59.36 -48.4 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.402 1.456 . . . . 0.0 111.352 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.56 -30.54 63.25 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.858 0.863 . . . . 0.0 112.834 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.66 -26.49 27.14 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.049 1.309 . . . . 0.0 115.55 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -45.92 61.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.98 1.89 . . . . 0.0 113.434 -168.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -58.38 109.91 0.87 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -159.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.63 75.32 Favored Glycine 0 CA--C 1.536 1.397 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -63.58 157.47 23.69 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 120.388 2.094 . . . . 0.0 111.756 169.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.43 105.27 15.33 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.708 1.203 . . . . 0.0 112.064 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -119.4 134.06 55.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.964 1.706 . . . . 0.0 109.393 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 54.02 20.6 2.52 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.798 1.181 . . . . 0.0 113.02 -164.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.49 3.99 50.13 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 119.694 -1.879 . . . . 0.0 115.052 -167.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -92.74 138.64 31.31 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.581 1.952 . . . . 0.0 109.741 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.7 m -81.59 127.29 32.71 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.716 -0.615 . . . . 0.0 111.415 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.3 tt -89.83 146.08 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -174.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.41 136.94 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.826 2.051 . . . . 0.0 108.932 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.4 m -132.14 148.03 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -171.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -161.71 158.86 26.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.103 1.361 . . . . 0.0 110.9 150.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.26 152.35 25.11 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 121.109 -0.994 . . . . 0.0 112.548 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -161.285 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.991 0.424 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -138.81 133.65 32.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.942 1.297 . . . . 0.0 112.627 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 p -148.54 155.71 41.48 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.755 1.222 . . . . 0.0 113.833 -170.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -82.9 144.89 29.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.771 2.428 . . . . 0.0 112.419 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.3 t -137.86 110.2 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.065 1.746 . . . . 0.0 109.3 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.82 119.33 5.57 Favored Glycine 0 N--CA 1.473 1.122 0 CA-C-O 118.833 -0.982 . . . . 0.0 112.023 170.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.87 -4.52 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.737 1.615 . . . . 0.0 114.357 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 mt -78.6 166.9 22.01 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.568 -1.332 . . . . 0.0 111.486 -168.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -133.67 172.77 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 126.65 1.98 . . . . 0.0 108.87 175.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -56.78 -21.35 27.97 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -167.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -109.42 -12.95 14.67 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.037 1.735 . . . . 0.0 113.096 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.18 145.63 44.05 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 120.6 1.546 . . . . 0.0 110.565 169.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -146.85 -173.92 4.35 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.0 -31.46 65.11 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -59.0 -34.38 71.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.132 0.878 . . . . 0.0 112.143 173.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.05 -48.81 14.52 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.124 1.345 . . . . 0.0 113.176 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.81 -35.54 80.29 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.264 1.032 . . . . 0.0 112.309 172.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.67 -39.05 83.22 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.02 -1.05 . . . . 0.0 111.47 172.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.67 48.36 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -41.32 75.89 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.564 -0.71 . . . . 0.0 111.107 168.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -103.73 -14.45 16.09 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 -168.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 m -60.48 -20.55 60.42 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.684 1.583 . . . . 0.0 113.819 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 p -72.02 -17.89 62.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -84.46 -34.2 23.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.696 1.199 . . . . 0.0 111.895 174.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.87 -177.1 48.37 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.389 0.995 . . . . 0.0 112.866 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -81.17 119.39 23.53 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.268 1.027 . . . . 0.0 111.129 -174.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.9 mm -77.63 136.3 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.396 1.078 . . . . 0.0 111.54 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 mp -97.12 -45.67 6.46 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.547 1.539 . . . . 0.0 111.155 169.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -146.1 149.45 34.07 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.229 1.012 . . . . 0.0 111.15 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.79 127.45 13.35 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.213 1.005 . . . . 0.0 108.581 168.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -107.46 139.62 41.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.652 1.581 . . . . 0.0 111.254 -174.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.53 143.04 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.234 1.414 . . . . 0.0 109.049 163.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.5 tp . . . . . 0 CA--C 1.546 0.827 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 167.124 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 121.144 0.497 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -97.36 -33.05 11.57 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.554 -0.716 . . . . 0.0 110.095 152.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.27 22.0 59.64 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.795 0.712 . . . . 0.0 114.323 166.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -143.14 172.82 12.21 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.494 1.518 . . . . 0.0 111.111 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.55 -175.85 34.01 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 125.286 1.422 . . . . 0.0 113.139 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -112.25 157.13 21.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.991 1.316 . . . . 0.0 109.974 166.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -140.29 143.34 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 125.324 1.45 . . . . 0.0 109.879 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 p -140.46 151.6 44.99 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -123.79 161.97 24.16 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.163 1.385 . . . . 0.0 113.008 -170.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.9 t -78.44 -20.88 50.09 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.068 1.747 . . . . 0.0 113.181 174.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -134.81 150.94 50.57 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.523 1.529 . . . . 0.0 112.994 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -34.59 78.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.558 1.543 . . . . 0.0 113.177 169.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -53.38 -44.53 68.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.515 1.526 . . . . 0.0 112.586 176.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.25 -45.99 36.55 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.003 0.921 . . . . 0.0 111.473 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -59.08 -47.36 85.53 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.466 0.706 . . . . 0.0 112.198 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -78.13 -33.99 50.14 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.983 -0.532 . . . . 0.0 112.283 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.82 -29.28 64.26 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.289 1.404 . . . . 0.0 111.869 173.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.37 -54.73 15.33 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.666 -0.646 . . . . 0.0 110.737 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.92 -41.55 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.541 1.536 . . . . 0.0 112.624 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -56.24 -31.97 64.05 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.316 1.046 . . . . 0.0 112.407 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.45 -44.59 6.47 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.102 1.334 . . . . 0.0 113.891 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 27.0 mtt -56.07 -37.54 69.46 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.932 1.366 . . . . 0.0 112.695 -176.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -62.92 92.42 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.459 1.504 . . . . 0.0 111.276 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.31 18.09 22.62 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -84.44 165.19 18.36 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.956 1.878 . . . . 0.0 113.626 172.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -96.44 133.47 40.82 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 153.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.7 tp -146.76 131.64 18.08 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.472 1.109 . . . . 0.0 110.622 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 t0 45.68 35.18 2.03 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.928 1.291 . . . . 0.0 113.563 -162.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.71 11.4 83.22 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.045 0.831 . . . . 0.0 114.877 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -118.84 155.05 31.89 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.626 1.97 . . . . 0.0 110.366 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -79.58 106.9 11.95 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.68 -0.638 . . . . 0.0 110.624 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.0 tt -75.5 134.33 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.184 0.594 . . . . 0.0 111.368 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.8 t -133.35 140.09 47.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.106 1.762 . . . . 0.0 108.84 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.82 148.94 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -164.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -157.86 160.55 37.81 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.009 0.924 . . . . 0.0 111.799 158.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -60.72 151.39 29.5 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.927 -1.108 . . . . 0.0 113.699 169.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.933 1.293 . . . . 0.0 113.103 -179.142 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 122.175 0.988 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -131.84 144.95 51.27 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.164 1.786 . . . . 0.0 111.594 -168.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 p -131.97 156.39 46.28 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.125 0.97 . . . . 0.0 112.201 171.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -89.28 142.27 27.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.4 1.88 . . . . 0.0 110.009 172.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.5 t -141.26 139.87 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.141 1.776 . . . . 0.0 109.299 -166.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.77 123.2 1.22 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 117.461 1.745 . . . . 0.0 117.461 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 p -150.04 -1.85 0.41 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 129.112 2.965 . . . . 0.0 112.508 166.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 mt -75.14 162.15 28.76 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.686 1.231 . . . . 0.0 112.015 -154.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -138.53 168.56 19.51 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 126.581 1.952 . . . . 0.0 108.828 -173.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -44.18 -33.6 1.58 Allowed 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -97.64 -14.94 20.66 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.996 1.318 . . . . 0.0 114.496 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.19 141.69 28.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.055 0.942 . . . . 0.0 109.797 176.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -140.9 -165.24 1.9 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.941 -0.474 . . . . 0.0 111.129 171.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.27 -38.8 13.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.527 1.131 . . . . 0.0 113.439 175.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -50.09 -38.78 40.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.696 1.199 . . . . 0.0 113.161 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.06 -46.0 38.23 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 118.883 0.765 . . . . 0.0 113.467 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.73 -29.36 64.45 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.042 0.921 . . . . 0.0 113.033 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.1 -52.09 66.38 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.422 1.489 . . . . 0.0 110.793 170.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.42 89.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.263 0.483 . . . . 0.0 111.893 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.21 -37.51 78.12 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -81.93 -19.47 40.7 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.3 t -57.7 -21.84 42.84 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -171.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 p -81.14 -18.75 45.32 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.857 1.263 . . . . 0.0 114.185 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -92.92 -27.2 17.22 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.424 1.889 . . . . 0.0 112.688 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.62 -176.03 45.32 Favored Glycine 0 CA--C 1.531 1.087 0 CA-C-N 120.095 1.316 . . . . 0.0 116.023 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -109.08 117.4 34.06 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.879 1.672 . . . . 0.0 110.836 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 mm -67.29 134.5 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.63 1.572 . . . . 0.0 113.59 -159.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.5 mt -100.58 -27.46 13.39 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 118.026 -0.988 . . . . 0.0 113.51 166.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -148.33 144.92 27.88 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.16 1.384 . . . . 0.0 110.979 176.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.73 108.41 4.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.991 1.316 . . . . 0.0 109.298 168.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -102.59 143.52 32.18 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.516 1.526 . . . . 0.0 109.998 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -117.8 140.38 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 125.62 1.568 . . . . 0.0 106.922 160.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 122.58 1.181 . . . . 0.0 111.854 167.653 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 110.638 -0.134 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -66.82 -25.64 66.54 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 121.172 -0.955 . . . . 0.0 110.775 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.78 19.99 78.47 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.135 1.35 . . . . 0.0 114.842 163.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -134.83 168.52 18.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.328 1.851 . . . . 0.0 110.34 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.89 177.05 41.18 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 125.419 1.485 . . . . 0.0 113.235 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -111.07 147.84 33.93 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.685 1.194 . . . . 0.0 109.946 167.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.07 149.59 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.426 1.09 . . . . 0.0 110.181 167.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -147.57 154.07 40.23 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -122.34 177.55 5.33 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.915 1.686 . . . . 0.0 110.591 172.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 m -72.05 -15.93 62.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.522 1.129 . . . . 0.0 113.822 172.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -150.51 160.97 43.41 Favored 'General case' 0 CA--C 1.552 1.058 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -75.27 -35.21 61.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.096 1.359 . . . . 0.0 114.158 -172.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -62.31 -45.37 93.55 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.963 0.905 . . . . 0.0 112.006 -169.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.68 78.6 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.914 0.886 . . . . 0.0 112.662 173.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 90.9 mmm -58.62 -42.16 87.59 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.234 0.925 . . . . 0.0 112.141 173.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -76.67 -34.45 58.24 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -64.47 -33.9 76.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.954 0.902 . . . . 0.0 111.176 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.91 61.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.3 0.64 . . . . 0.0 111.585 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.4 -36.45 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.627 1.103 . . . . 0.0 112.08 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.5 -27.45 67.79 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 171.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.88 -8.64 50.97 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.692 1.615 . . . . 0.0 115.733 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.6 mmt -96.1 -41.45 8.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.679 1.991 . . . . 0.0 113.43 -175.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -62.56 108.87 1.22 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -161.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.97 5.92 70.17 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.3 1.429 . . . . 0.0 115.892 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -68.03 163.18 22.9 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.73 1.765 . . . . 0.0 113.95 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -103.9 109.4 21.14 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.135 1.374 . . . . 0.0 108.885 171.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 tp -142.41 131.8 23.63 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.127 1.371 . . . . 0.0 110.611 -165.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 t0 53.41 25.02 4.3 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -159.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.08 -3.63 75.55 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 126.121 1.82 . . . . 0.0 115.59 -170.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -114.53 154.71 27.77 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.842 1.657 . . . . 0.0 112.065 -168.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.8 p -73.9 128.8 36.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.879 0.872 . . . . 0.0 112.273 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.4 tt -112.29 139.82 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 -174.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 t -119.57 146.61 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 127.96 2.504 . . . . 0.0 110.457 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.9 m -137.81 141.43 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.891 1.676 . . . . 0.0 112.458 -178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -158.47 155.64 28.87 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.058 0.943 . . . . 0.0 113.308 163.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -60.88 142.68 56.06 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.399 1.48 . . . . 0.0 114.96 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.299 0 C-N-CA 125.941 1.696 . . . . 0.0 114.295 -177.159 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 mmt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.79 101.54 14.14 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.064 1.346 . . . . 0.0 110.804 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -79.25 94.11 5.38 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.338 1.055 . . . . 0.0 109.444 165.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.2 p -110.59 179.08 4.17 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.631 1.572 . . . . 0.0 112.384 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -69.33 -18.65 63.83 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.094 -1.629 . . . . 0.0 112.318 170.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.73 -17.88 57.47 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.997 1.284 . . . . 0.0 114.126 171.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -138.99 55.49 1.71 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.621 1.568 . . . . 0.0 112.644 -170.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -126.84 167.55 15.66 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.117 1.767 . . . . 0.0 111.977 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -107.91 78.49 1.19 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 109.449 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -126.62 125.76 42.47 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.681 1.992 . . . . 0.0 109.942 -173.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -140.99 155.7 46.17 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.64 0.776 . . . . 0.0 112.665 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -84.83 145.96 27.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.649 1.98 . . . . 0.0 111.827 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.99 110.08 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.324 1.449 . . . . 0.0 108.69 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.21 134.82 11.93 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.335 0.969 . . . . 0.0 112.187 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.4 -31.57 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 126.954 2.102 . . . . 0.0 112.925 172.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.42 163.64 5.05 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.249 1.819 . . . . 0.0 113.802 -161.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.1 p -145.14 175.62 10.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.106 1.762 . . . . 0.0 111.183 -169.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.1 p90 -51.69 -14.79 0.38 Allowed 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 164.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -100.32 -30.61 11.77 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.128 1.371 . . . . 0.0 113.465 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.61 146.59 23.66 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 120.382 1.447 . . . . 0.0 113.926 -176.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -137.29 -178.3 5.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.221 1.009 . . . . 0.0 112.753 174.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.04 -33.08 64.62 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.874 0.87 . . . . 0.0 112.812 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.25 -38.86 81.1 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.06 0.944 . . . . 0.0 111.859 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.62 -35.93 62.41 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.643 1.116 . . . . 0.0 113.888 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pp -79.59 -35.18 40.04 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.693 1.246 . . . . 0.0 111.989 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -55.25 -45.5 76.05 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.268 -0.895 . . . . 0.0 110.678 170.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.68 -18.73 65.03 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.48 -24.29 24.17 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.307 1.043 . . . . 0.0 113.689 172.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -102.53 -21.22 14.23 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.675 1.59 . . . . 0.0 114.217 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 t -59.95 -23.61 63.7 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.961 1.304 . . . . 0.0 113.349 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 p -69.79 -12.59 61.75 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.656 1.982 . . . . 0.0 115.031 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -95.69 -38.85 10.18 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.156 0.982 . . . . 0.0 112.665 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.49 179.19 46.84 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 115.285 0.874 . . . . 0.0 115.285 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.21 115.68 11.73 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.688 1.595 . . . . 0.0 111.651 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.1 mm -78.08 139.84 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.784 1.234 . . . . 0.0 111.942 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 mt -92.42 -45.35 8.2 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.429 1.492 . . . . 0.0 111.686 168.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.55 159.36 44.15 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.901 0.858 . . . . 0.0 111.645 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.87 148.64 47.19 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.031 149.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -119.38 137.79 53.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.696 1.598 . . . . 0.0 108.934 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.74 132.67 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.025 1.33 . . . . 0.0 109.402 164.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.281 10.6 tp -125.59 140.54 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 123.028 1.395 . . . . 0.0 113.52 -173.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -149.72 166.49 29.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 129.277 3.031 . . . . 0.0 109.039 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -85.66 109.71 18.78 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.757 1.162 . . . . 0.0 110.47 156.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -68.73 -17.3 64.03 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.932 1.293 . . . . 0.0 114.44 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -76.69 -52.65 9.24 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.513 0.725 . . . . 0.0 109.678 170.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -82.23 -19.46 39.65 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.741 0.816 . . . . 0.0 112.701 -170.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.75 33.55 55.29 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.212 0.911 . . . . 0.0 112.514 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -120.75 116.09 24.56 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.505 1.522 . . . . 0.0 110.974 -168.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t -74.19 140.35 45.05 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.136 0.88 . . . . 0.0 112.568 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -72.15 -28.63 63.37 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.817 0.847 . . . . 0.0 110.284 161.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.37 26.4 68.14 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.033 1.301 . . . . 0.0 113.839 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -150.79 -179.25 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 125.11 1.364 . . . . 0.0 110.396 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.61 -151.85 10.83 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 124.245 0.926 . . . . 0.0 110.893 161.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -114.13 156.9 23.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 p -128.91 142.97 42.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 126.841 2.056 . . . . 0.0 108.814 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.5 p -137.37 141.38 41.76 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -111.46 153.89 25.49 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.995 1.318 . . . . 0.0 112.722 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 m -75.21 -13.14 60.42 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.796 1.239 . . . . 0.0 113.748 170.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -139.19 150.68 45.85 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.442 1.897 . . . . 0.0 110.833 -172.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -82.4 -36.56 26.61 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -57.34 -42.51 82.09 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.313 1.045 . . . . 0.0 111.384 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.82 -43.84 97.71 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.105 0.962 . . . . 0.0 112.543 174.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 44.0 ttp -63.91 -44.7 92.16 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.903 -0.498 . . . . 0.0 111.663 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -77.75 -39.79 43.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 118.457 -0.782 . . . . 0.0 113.095 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -67.68 -29.37 68.63 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.037 0.835 . . . . 0.0 111.81 173.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.03 -62.43 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.439 0.563 . . . . 0.0 110.754 169.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.3 mt -52.71 -46.2 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.438 1.017 . . . . 0.0 112.806 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -65.86 -21.09 66.44 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.23 0.923 . . . . 0.0 113.388 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.21 -26.07 10.54 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.835 1.207 . . . . 0.0 115.741 173.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.6 mmt -76.64 -26.65 55.12 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.122 1.769 . . . . 0.0 114.733 -168.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -51.24 114.57 1.24 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.033 0.833 . . . . 0.0 111.664 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.89 6.97 87.89 Favored Glycine 0 CA--C 1.537 1.45 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -67.11 167.59 11.73 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.679 1.74 . . . . 0.0 112.361 173.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -118.28 117.4 29.0 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.84 0.856 . . . . 0.0 112.266 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -116.56 134.59 54.66 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.979 2.112 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.7 t0 44.7 32.93 0.85 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.757 1.623 . . . . 0.0 115.221 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.41 20.09 65.07 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.156 1.36 . . . . 0.0 115.721 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -132.25 144.63 50.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.931 2.092 . . . . 0.0 111.279 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 t -82.43 133.48 35.21 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.48 -0.762 . . . . 0.0 112.27 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 pt -98.44 163.4 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -169.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.8 t -133.96 141.89 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.666 1.587 . . . . 0.0 108.975 165.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 m -123.33 132.65 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.377 1.471 . . . . 0.0 112.549 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -154.78 164.01 39.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.219 -0.926 . . . . 0.0 112.084 160.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.59 152.03 27.3 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.968 -1.082 . . . . 0.0 112.998 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.08 19.54 4.94 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.607 1.163 . . . . 0.0 113.387 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -79.71 -49.08 12.61 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.959 1.303 . . . . 0.0 112.286 -173.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 t -74.93 -37.33 62.04 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.923 -1.11 . . . . 0.0 112.209 -175.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -68.06 -30.87 70.17 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.272 -0.892 . . . . 0.0 112.855 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -72.56 -40.87 52.94 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.306 0.955 . . . . 0.0 113.249 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -71.5 -32.54 68.34 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.929 1.292 . . . . 0.0 113.317 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.18 2.59 59.09 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.764 1.65 . . . . 0.0 115.88 174.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.367 0 C-N-CA 125.621 1.582 . . . . 0.0 113.617 -177.291 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.94 89.95 2.49 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.729 1.212 . . . . 0.0 108.924 166.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -82.79 81.09 8.67 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 122.179 0.99 . . . . 0.0 111.823 -173.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t -78.26 -176.74 4.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.628 1.971 . . . . 0.0 111.601 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.95 -15.99 47.73 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -170.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.41 -11.87 76.96 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.739 1.162 . . . . 0.0 115.829 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.71 160.11 21.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.966 1.383 . . . . 0.0 113.573 -169.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -138.24 163.94 30.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.179 1.392 . . . . 0.0 112.572 171.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -77.63 80.69 4.09 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.868 -1.145 . . . . 0.0 111.099 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 ptm85 -133.64 144.71 49.39 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 p -135.56 158.43 44.4 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.664 1.585 . . . . 0.0 113.655 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -92.23 150.17 21.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.249 2.22 . . . . 0.0 111.794 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.7 120.44 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.837 1.655 . . . . 0.0 110.478 177.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.03 122.29 7.44 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.729 -1.039 . . . . 0.0 111.316 169.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -177.64 -33.21 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.851 1.26 . . . . 0.0 114.289 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.3 mt -56.3 151.62 12.49 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -164.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 p -130.53 179.41 5.95 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.023 2.129 . . . . 0.0 111.092 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.2 p90 -47.66 -25.67 1.26 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 164.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -88.7 -34.11 17.31 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.392 1.477 . . . . 0.0 113.287 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.19 153.29 21.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.712 1.205 . . . . 0.0 113.736 -169.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.08 -172.05 3.5 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.643 1.177 . . . . 0.0 112.183 165.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -52.44 -35.16 51.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.617 1.167 . . . . 0.0 112.791 172.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -69.23 -40.59 77.85 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.974 1.31 . . . . 0.0 113.993 -170.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.1 -28.71 72.62 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.436 0.562 . . . . 0.0 112.847 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.71 -38.24 47.75 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 117.725 0.762 . . . . 0.0 111.782 170.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.25 -43.48 70.96 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.617 1.098 . . . . 0.0 111.157 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.73 82.11 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.713 0.688 . . . . 0.0 112.843 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -30.17 70.24 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -88.84 -24.58 22.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.516 1.126 . . . . 0.0 113.587 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 m -60.85 -20.39 61.69 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.535 1.062 . . . . 0.0 113.833 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -60.43 -27.76 67.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.937 0.895 . . . . 0.0 113.382 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -91.68 -24.87 19.36 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.729 1.212 . . . . 0.0 113.412 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.16 -171.08 43.34 Favored Glycine 0 CA--C 1.533 1.157 0 N-CA-C 115.315 0.886 . . . . 0.0 115.315 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.95 116.21 15.43 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.219 1.408 . . . . 0.0 111.622 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 mm -77.99 135.27 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.453 1.101 . . . . 0.0 110.916 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.05 -35.03 12.1 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.777 1.231 . . . . 0.0 112.079 169.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -164.54 157.55 17.21 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.263 0.938 . . . . 0.0 111.107 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.74 148.05 36.62 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.26 0.552 . . . . 0.0 110.797 158.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -103.05 133.84 47.5 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.297 -0.877 . . . . 0.0 110.236 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.31 136.75 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 125.839 1.656 . . . . 0.0 108.535 166.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tp -126.8 121.76 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 122.893 1.33 . . . . 0.0 112.861 168.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -158.86 154.13 25.55 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.563 2.345 . . . . 0.0 109.675 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -119.15 111.5 18.34 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.047 -1.033 . . . . 0.0 112.067 147.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.33 -33.33 74.1 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.104 1.362 . . . . 0.0 112.448 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.8 -44.26 77.75 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.605 1.162 . . . . 0.0 112.434 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.8 p -105.98 14.31 28.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.75 28.2 71.18 Favored Glycine 0 CA--C 1.533 1.212 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 166.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -119.44 87.56 2.76 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.013 1.325 . . . . 0.0 112.286 -174.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.6 m -84.44 104.6 14.59 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.157 0.583 . . . . 0.0 109.84 173.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -67.76 -31.37 71.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.19 0.596 . . . . 0.0 111.713 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.35 23.72 64.87 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 115.503 0.961 . . . . 0.0 115.503 162.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -139.89 167.83 21.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.496 1.519 . . . . 0.0 110.577 173.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.55 176.9 32.17 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.594 1.092 . . . . 0.0 113.346 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.66 158.2 23.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.499 1.12 . . . . 0.0 111.328 167.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.17 139.36 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.647 1.579 . . . . 0.0 109.226 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -126.84 136.67 52.66 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.027 1.331 . . . . 0.0 112.259 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -112.94 157.25 21.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.791 2.037 . . . . 0.0 111.936 -167.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 m -82.35 -27.42 32.18 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.173 0.989 . . . . 0.0 113.17 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -137.11 152.69 50.29 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.563 1.145 . . . . 0.0 113.475 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -68.2 -41.13 81.82 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.623 1.969 . . . . 0.0 113.947 -170.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -68.32 -37.86 80.99 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.991 -1.068 . . . . 0.0 112.649 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.83 92.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.307 0.643 . . . . 0.0 112.173 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 43.8 ttp -61.8 -43.47 98.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.977 0.911 . . . . 0.0 111.98 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -75.06 -49.48 19.6 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.476 0.71 . . . . 0.0 112.448 -173.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -71.85 -23.03 61.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.09 -61.88 1.98 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.219 167.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.09 -44.49 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 125.164 1.385 . . . . 0.0 112.015 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.78 -22.77 67.06 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.582 1.153 . . . . 0.0 113.608 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.44 -31.54 6.75 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.559 1.076 . . . . 0.0 114.656 169.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mmt -67.51 -28.35 67.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.975 1.71 . . . . 0.0 114.31 -172.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -56.18 104.73 0.15 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.737 0.815 . . . . 0.0 112.412 -173.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.82 8.02 77.08 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.737 1.455 . . . . 0.0 116.737 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -67.72 154.8 40.7 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.067 1.934 . . . . 0.0 112.83 174.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -85.74 120.04 26.73 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.094 0.957 . . . . 0.0 110.98 163.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -128.22 131.39 48.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.544 1.938 . . . . 0.0 109.27 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 56.3 20.56 4.71 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.418 1.487 . . . . 0.0 113.619 -169.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.54 6.07 86.45 Favored Glycine 0 CA--C 1.539 1.571 0 O-C-N 120.207 -1.558 . . . . 0.0 114.982 -170.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -108.34 150.56 27.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.912 2.085 . . . . 0.0 109.989 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.7 m -82.1 132.58 35.25 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.447 -0.783 . . . . 0.0 111.258 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.8 tt -101.94 148.76 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 121.726 0.774 . . . . 0.0 112.974 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.5 t -129.09 139.65 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.336 1.854 . . . . 0.0 108.162 173.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 m -133.49 130.78 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -168.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -154.38 158.71 40.46 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.845 1.258 . . . . 0.0 111.703 169.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.32 151.55 27.41 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.07 -1.019 . . . . 0.0 112.823 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.03 24.87 4.95 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.289 1.436 . . . . 0.0 112.783 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.43 -28.13 66.67 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.033 -1.042 . . . . 0.0 112.604 -174.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -62.43 -32.23 73.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.257 1.423 . . . . 0.0 113.398 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -80.53 -1.31 41.34 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 -171.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.12 -20.84 65.37 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 -160.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -101.0 -24.22 14.37 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.942 1.871 . . . . 0.0 114.71 -173.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.99 -51.47 28.59 Favored Glycine 0 CA--C 1.535 1.321 0 CA-C-N 119.375 0.988 . . . . 0.0 113.613 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 C-N-CA 126.273 1.892 . . . . 0.0 112.722 -177.761 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 111.35 0.13 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.76 91.02 2.55 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 153.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -108.02 104.87 14.41 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.636 1.174 . . . . 0.0 111.73 -166.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.2 m -72.71 -177.56 2.35 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 128.408 2.683 . . . . 0.0 112.814 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.99 -33.17 74.83 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -162.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.01 -16.96 79.16 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-N 119.0 0.818 . . . . 0.0 114.523 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.33 166.61 12.0 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.733 1.613 . . . . 0.0 112.256 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -140.31 152.86 46.19 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -170.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -112.76 78.71 1.15 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 122.614 1.197 . . . . 0.0 108.243 -176.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -130.48 155.76 45.92 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.534 1.533 . . . . 0.0 112.508 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -148.53 157.03 43.2 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.475 1.11 . . . . 0.0 113.441 -175.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.6 147.61 43.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.596 1.559 . . . . 0.0 111.334 166.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.11 145.46 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.349 1.86 . . . . 0.0 109.53 164.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.12 124.91 1.9 Allowed Glycine 0 CA--C 1.528 0.867 0 O-C-N 121.999 -0.438 . . . . 0.0 113.053 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.9 p -176.56 -20.88 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.996 2.118 . . . . 0.0 113.547 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.49 161.97 18.96 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.066 1.346 . . . . 0.0 112.556 -166.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -114.82 176.55 5.0 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 126.771 2.029 . . . . 0.0 110.471 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -50.86 -25.71 4.87 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.161 0.984 . . . . 0.0 113.647 166.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -100.22 -29.35 12.51 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.63 149.09 45.91 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.873 1.67 . . . . 0.0 111.542 174.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -149.03 -178.29 6.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -58.46 -33.71 70.06 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.301 -0.875 . . . . 0.0 113.204 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -66.6 -32.05 73.14 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.71 -43.78 65.91 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.437 1.018 . . . . 0.0 112.582 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -57.89 -51.02 71.35 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 117.625 0.712 . . . . 0.0 111.483 168.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.43 -45.15 76.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.174 0.989 . . . . 0.0 112.007 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.12 -27.37 63.53 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -174.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.39 -47.31 34.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.121 0.568 . . . . 0.0 110.789 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -76.31 -20.57 57.17 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.9 t -62.34 -21.3 65.19 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.147 0.885 . . . . 0.0 113.033 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.8 m -71.46 -23.55 61.85 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.831 -1.168 . . . . 0.0 113.176 173.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -79.47 -43.73 22.68 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.447 -0.783 . . . . 0.0 111.266 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.92 -160.48 26.89 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 116.107 1.203 . . . . 0.0 116.107 176.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.89 132.71 53.01 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.52 1.128 . . . . 0.0 111.844 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 mm -109.0 138.8 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.227 1.811 . . . . 0.0 110.316 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -96.96 -31.13 12.7 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.081 1.352 . . . . 0.0 112.734 169.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -164.21 154.85 15.17 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.271 1.028 . . . . 0.0 111.378 -177.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.79 150.3 49.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.556 138.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -102.55 144.72 30.61 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.981 1.713 . . . . 0.0 110.282 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.95 141.35 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.655 1.182 . . . . 0.0 110.211 160.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.4 tp -126.09 144.06 37.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -142.11 148.76 38.87 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 128.449 2.699 . . . . 0.0 108.807 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.06 98.39 6.44 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.215 1.371 . . . . 0.0 112.428 167.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -65.89 -26.52 67.66 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.181 1.392 . . . . 0.0 112.81 176.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -58.35 -42.54 87.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.813 1.245 . . . . 0.0 111.851 169.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.73 9.4 39.15 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.937 1.295 . . . . 0.0 112.721 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.29 21.71 66.6 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.666 1.603 . . . . 0.0 115.535 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -116.83 132.62 56.65 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.991 1.396 . . . . 0.0 113.861 -161.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 p -62.26 118.7 7.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 152.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -81.61 -23.62 36.93 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.749 -1.219 . . . . 0.0 111.203 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.75 15.5 66.75 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.641 1.115 . . . . 0.0 115.347 163.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -127.41 168.72 14.46 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.247 2.219 . . . . 0.0 108.981 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.54 178.25 34.84 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.391 0.996 . . . . 0.0 113.514 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -116.36 158.08 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.563 1.145 . . . . 0.0 110.689 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.12 138.89 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.938 1.295 . . . . 0.0 108.913 168.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 t -131.34 133.85 45.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.635 1.174 . . . . 0.0 111.327 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -109.65 156.54 20.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.433 1.493 . . . . 0.0 111.667 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -85.15 -16.32 40.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -132.47 146.28 51.82 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.871 1.214 . . . . 0.0 112.308 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -77.64 -40.81 40.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.62 1.168 . . . . 0.0 113.58 -163.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -73.28 -35.52 66.17 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.027 -1.046 . . . . 0.0 112.019 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.51 97.9 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.582 1.153 . . . . 0.0 112.148 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -59.87 -45.16 93.36 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.692 0.797 . . . . 0.0 112.082 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -71.96 -35.62 69.61 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.48 -0.762 . . . . 0.0 112.126 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -67.38 -30.24 69.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.068 0.547 . . . . 0.0 112.067 174.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.47 43.82 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 118.598 -0.715 . . . . 0.0 110.737 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.9 mm -54.09 -39.3 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 120.154 1.343 . . . . 0.0 113.211 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.15 -26.03 61.94 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 120.605 -1.31 . . . . 0.0 113.954 172.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.32 -33.6 22.48 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.64 1.114 . . . . 0.0 114.727 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mtt -69.34 -41.74 76.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.471 1.908 . . . . 0.0 112.949 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -53.06 112.68 0.9 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.16 0.984 . . . . 0.0 111.957 -171.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.81 86.98 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.754 1.462 . . . . 0.0 116.754 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -69.24 146.28 52.46 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.12 1.96 . . . . 0.0 112.957 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -86.6 86.1 7.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.852 1.261 . . . . 0.0 108.943 169.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -95.82 127.85 42.2 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.066 0.946 . . . . 0.0 110.029 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.9 t70 55.09 23.2 5.05 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 122.218 1.008 . . . . 0.0 112.825 -160.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.26 -5.88 83.2 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.675 2.083 . . . . 0.0 115.54 -172.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -108.08 134.87 50.35 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.449 1.624 . . . . 0.0 111.852 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.6 m -64.24 118.75 9.08 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.732 0.813 . . . . 0.0 111.946 -176.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.0 tt -93.85 161.43 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.399 1.48 . . . . 0.0 112.395 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.6 t -136.64 146.21 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.81 1.644 . . . . 0.0 108.694 173.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.9 m -127.18 142.71 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.865 1.266 . . . . 0.0 113.659 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.19 160.4 38.68 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.776 1.231 . . . . 0.0 111.35 152.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 153.25 17.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.764 1.226 . . . . 0.0 113.685 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.29 26.99 5.1 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.704 1.602 . . . . 0.0 113.187 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.12 -24.35 14.91 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.02 -1.05 . . . . 0.0 112.565 171.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 p -48.72 -34.28 11.76 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.44 1.896 . . . . 0.0 114.055 165.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -79.58 -7.23 58.37 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.626 1.571 . . . . 0.0 115.018 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.95 -13.78 42.36 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 125.093 1.33 . . . . 0.0 114.167 170.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -111.97 153.44 26.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.576 2.35 . . . . 0.0 109.848 168.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.3 159.87 35.97 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.459 1.028 . . . . 0.0 113.328 -169.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.156 0 C-N-CA 125.279 1.419 . . . . 0.0 112.639 -174.18 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mpp? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.9 105.98 6.65 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.263 1.025 . . . . 0.0 111.057 170.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -97.08 104.05 16.03 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.274 1.429 . . . . 0.0 110.429 -176.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.9 m -55.56 172.67 0.15 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.717 2.007 . . . . 0.0 112.928 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -63.71 -31.08 72.14 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.102 -1.624 . . . . 0.0 113.475 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.91 -9.67 85.07 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.07 1.795 . . . . 0.0 115.319 173.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.73 159.27 15.02 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.644 1.578 . . . . 0.0 112.362 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -140.24 149.55 43.01 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -169.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -90.5 73.94 6.85 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.489 -0.757 . . . . 0.0 110.35 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -113.94 137.26 51.92 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.512 1.125 . . . . 0.0 111.727 -172.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.29 157.07 46.39 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.319 1.047 . . . . 0.0 112.768 175.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -76.36 151.12 36.73 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.784 2.034 . . . . 0.0 111.754 170.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.75 120.04 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.248 1.819 . . . . 0.0 110.361 170.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.14 124.19 5.92 Favored Glycine 0 N--CA 1.474 1.208 0 C-N-CA 124.434 1.016 . . . . 0.0 112.481 172.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 p -179.79 -24.21 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.961 1.704 . . . . 0.0 114.147 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.96 159.37 20.08 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.079 1.352 . . . . 0.0 113.252 -161.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.7 m -127.17 169.63 13.25 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 126.913 2.085 . . . . 0.0 109.792 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -54.02 -33.68 57.87 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -78.7 -31.36 46.5 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.559 1.143 . . . . 0.0 113.334 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.12 156.51 37.31 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.273 1.429 . . . . 0.0 112.265 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -148.78 -165.57 2.31 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.478 -0.763 . . . . 0.0 112.492 163.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -54.88 -31.44 59.86 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 121.619 -0.676 . . . . 0.0 112.496 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -52.97 -44.55 67.24 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.307 0.958 . . . . 0.0 112.395 -177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.44 -36.71 43.37 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.476 -176.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.29 -37.82 56.98 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.996 1.398 . . . . 0.0 111.655 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -57.95 -43.98 86.7 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.612 1.165 . . . . 0.0 110.588 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.18 82.2 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.28 74.0 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.588 -0.695 . . . . 0.0 111.621 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -73.88 -30.63 62.73 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.49 1.116 . . . . 0.0 113.097 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.8 t -60.16 -20.11 56.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.218 1.007 . . . . 0.0 113.418 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 m -80.18 -15.14 57.7 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -88.38 -26.28 22.26 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.661 1.184 . . . . 0.0 113.108 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.3 -173.86 46.19 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.632 1.11 . . . . 0.0 113.489 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.03 115.33 5.96 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.214 1.006 . . . . 0.0 111.392 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.7 tp -88.14 145.17 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 127.341 2.256 . . . . 0.0 111.871 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -113.24 -55.6 2.5 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.836 1.254 . . . . 0.0 113.042 -171.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -164.15 154.72 15.18 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.562 1.945 . . . . 0.0 110.43 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.08 147.36 40.16 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.814 0.846 . . . . 0.0 112.956 167.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -102.09 150.45 23.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.098 2.159 . . . . 0.0 110.389 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.55 145.67 34.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 126.019 1.727 . . . . 0.0 108.573 161.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.0 tp -132.57 137.39 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-O 123.158 1.456 . . . . 0.0 114.816 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -158.38 -177.74 6.76 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.855 2.862 . . . . 0.0 110.07 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -122.53 125.23 45.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.775 0.83 . . . . 0.0 110.193 151.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -78.19 -17.64 56.52 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.53 -57.06 4.08 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.063 0.847 . . . . 0.0 110.215 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.7 p -86.72 2.97 46.8 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 173.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.15 30.93 66.87 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 116.143 1.217 . . . . 0.0 116.143 164.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -118.68 122.21 41.98 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.916 1.686 . . . . 0.0 112.75 -169.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 m -75.39 141.47 43.24 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.338 -0.851 . . . . 0.0 110.207 166.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.7 mtp85 -90.78 -26.01 19.68 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.737 0.415 . . . . 0.0 111.376 168.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.29 19.62 58.48 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.12 1.343 . . . . 0.0 114.81 167.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -144.65 172.97 12.25 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.301 -1.117 . . . . 0.0 112.031 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.74 -177.22 31.62 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 125.518 1.532 . . . . 0.0 113.376 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -115.76 161.42 18.76 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.104 1.362 . . . . 0.0 110.188 161.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -148.36 150.62 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.901 1.28 . . . . 0.0 110.888 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.8 t -143.03 153.42 42.94 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -171.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -126.11 167.04 15.93 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.721 2.008 . . . . 0.0 113.844 -171.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.3 p -78.54 -19.09 53.66 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -147.94 162.08 40.03 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.32 1.448 . . . . 0.0 113.643 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -63.95 -33.62 76.14 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.089 1.756 . . . . 0.0 113.05 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -66.94 -49.89 64.05 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.601 -0.687 . . . . 0.0 112.746 -168.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.78 74.66 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -64.45 -49.12 72.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.503 0.592 . . . . 0.0 111.336 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -71.76 -35.67 70.15 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.09 -1.006 . . . . 0.0 112.273 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.89 -31.43 72.36 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.94 0.896 . . . . 0.0 112.127 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.68 -59.44 2.95 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.31 171.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.9 mm -53.07 -37.87 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 120.128 1.331 . . . . 0.0 112.655 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.52 -44.85 77.04 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.8 1.24 . . . . 0.0 113.093 172.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.95 -23.56 29.78 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.401 1.0 . . . . 0.0 115.055 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.8 mmt -74.72 -32.25 62.08 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.814 1.307 . . . . 0.0 114.306 -166.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -55.69 109.29 0.54 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 120.377 1.444 . . . . 0.0 112.112 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.46 6.3 89.0 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.177 1.37 . . . . 0.0 116.259 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -64.66 139.64 58.78 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.731 2.266 . . . . 0.0 110.751 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -82.4 98.16 8.73 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 122.011 -0.431 . . . . 0.0 111.94 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.02 135.4 51.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.051 1.74 . . . . 0.0 109.837 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 t70 51.57 29.39 5.44 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.049 0.939 . . . . 0.0 113.398 -174.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.78 17.23 80.09 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.521 -1.362 . . . . 0.0 115.493 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -131.57 145.6 51.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.371 1.868 . . . . 0.0 111.712 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 81.0 p -70.18 127.08 31.58 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.671 -0.643 . . . . 0.0 111.251 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.9 tt -94.61 144.97 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.712 0.768 . . . . 0.0 112.98 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.61 133.67 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.705 1.602 . . . . 0.0 108.603 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.7 m -133.19 141.33 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -169.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -154.94 159.87 40.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.551 1.14 . . . . 0.0 110.838 164.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -59.62 146.34 41.33 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.162 -0.961 . . . . 0.0 110.831 169.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.82 -0.35 10.16 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -70.09 -24.41 63.21 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.509 1.05 . . . . 0.0 112.019 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.6 p -70.54 -17.52 62.93 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 170.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -96.35 17.95 14.89 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.218 1.807 . . . . 0.0 113.9 -168.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.45 160.44 10.35 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.305 0.955 . . . . 0.0 114.726 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -139.33 -3.61 1.53 Allowed 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.81 -11.03 85.79 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.165 -0.959 . . . . 0.0 114.696 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.389 1.947 . . . . 0.0 110.128 -179.036 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.464 0.173 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.79 88.66 5.22 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.967 -1.083 . . . . 0.0 110.562 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -88.32 92.28 9.11 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.597 1.159 . . . . 0.0 109.898 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.2 m -70.42 179.9 2.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.104 1.762 . . . . 0.0 113.108 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -54.06 -36.63 63.31 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.644 1.578 . . . . 0.0 114.718 -173.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.68 -15.26 81.72 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 115.284 0.874 . . . . 0.0 115.284 175.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.91 -170.21 2.08 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.701 1.6 . . . . 0.0 112.266 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -133.95 125.4 28.16 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.484 1.114 . . . . 0.0 112.566 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -92.77 79.49 4.74 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 123.046 1.403 . . . . 0.0 110.728 173.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -140.35 153.62 46.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.851 2.06 . . . . 0.0 110.986 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.82 155.67 49.41 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.557 0.694 . . . . 0.0 112.028 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -74.41 149.87 40.25 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.477 1.111 . . . . 0.0 110.629 167.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -138.18 104.7 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.343 1.457 . . . . 0.0 108.468 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.21 120.44 6.17 Favored Glycine 0 N--CA 1.47 0.935 0 CA-C-O 119.376 -0.68 . . . . 0.0 111.843 173.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.5 p -177.47 -19.61 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.0 mt -76.79 166.15 23.75 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 122.767 1.27 . . . . 0.0 113.844 -163.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -147.01 173.62 12.28 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.637 2.375 . . . . 0.0 109.23 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -56.07 -24.93 42.99 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -170.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -90.12 -25.46 20.7 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.861 1.209 . . . . 0.0 113.996 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.46 155.27 34.02 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.632 1.106 . . . . 0.0 110.877 172.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.39 -167.97 2.97 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 121.463 -0.773 . . . . 0.0 112.672 167.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -51.99 -31.88 31.34 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -71.56 -29.56 64.87 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.042 -1.036 . . . . 0.0 112.386 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.33 -31.27 47.15 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-O 118.453 -1.193 . . . . 0.0 113.424 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.11 -40.76 44.67 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.336 1.068 . . . . 0.0 111.418 164.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.33 -48.19 81.35 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 120.154 1.343 . . . . 0.0 111.542 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.31 -39.36 89.25 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.097 0.862 . . . . 0.0 112.602 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -26.43 62.35 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.352 1.061 . . . . 0.0 113.67 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -88.63 -25.31 22.49 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.33 1.052 . . . . 0.0 112.887 175.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m -59.85 -19.52 51.61 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -72.11 -22.26 61.36 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.988 -1.07 . . . . 0.0 113.623 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -84.4 -31.6 24.59 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.593 0.757 . . . . 0.0 112.115 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.09 -169.47 41.3 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-O 122.328 0.96 . . . . 0.0 114.32 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -95.18 129.11 42.42 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 125.783 1.633 . . . . 0.0 110.871 -172.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.6 mm -101.09 137.23 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.326 1.45 . . . . 0.0 112.012 -165.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -110.64 -14.55 14.03 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.768 1.227 . . . . 0.0 112.916 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -152.12 144.09 23.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.329 0.968 . . . . 0.0 111.518 170.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.15 112.36 7.71 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.527 1.531 . . . . 0.0 107.282 161.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 43.6 tptt -103.13 141.79 35.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.163 1.385 . . . . 0.0 110.437 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.61 138.38 50.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 125.645 1.578 . . . . 0.0 109.968 168.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 tp -112.71 122.09 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-O 122.229 1.014 . . . . 0.0 112.129 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -147.95 129.36 14.84 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 128.623 2.769 . . . . 0.0 108.343 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -113.37 89.56 3.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.86 0.864 . . . . 0.0 110.122 166.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -55.12 -42.58 73.17 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.219 1.407 . . . . 0.0 112.22 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.69 -31.42 72.59 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.35 1.46 . . . . 0.0 112.354 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.2 m -94.99 -9.56 33.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.552 1.541 . . . . 0.0 112.289 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.39 30.09 63.04 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.29 0.947 . . . . 0.0 113.198 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -117.31 81.81 1.71 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.092 1.757 . . . . 0.0 110.954 -166.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.8 m -85.06 96.82 9.54 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.941 0.896 . . . . 0.0 109.382 168.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -67.29 -30.48 70.35 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.249 1.02 . . . . 0.0 111.711 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.23 29.02 51.91 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.038 0.828 . . . . 0.0 115.071 166.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -155.21 175.89 13.26 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.75 1.22 . . . . 0.0 111.84 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.6 -149.03 7.64 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.247 0.927 . . . . 0.0 112.936 162.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.449 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 18.0 m-85 -114.09 158.76 20.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.547 1.539 . . . . 0.0 111.891 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.79 138.98 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.485 1.114 . . . . 0.0 110.023 165.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 p -125.92 142.39 51.54 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.142 0.883 . . . . 0.0 113.015 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -103.78 168.89 8.85 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.719 1.208 . . . . 0.0 112.244 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m -88.77 -29.08 20.05 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.044 1.338 . . . . 0.0 112.42 167.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -138.53 151.04 46.98 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.158 1.383 . . . . 0.0 112.646 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -80.61 -29.74 36.81 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -72.25 -35.71 68.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.074 -1.016 . . . . 0.0 111.335 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.89 97.6 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.478 0.711 . . . . 0.0 111.461 169.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.0 ttp -58.85 -40.68 84.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.815 0.846 . . . . 0.0 112.117 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.24 -44.89 58.69 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.36 -0.837 . . . . 0.0 112.957 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.3 -31.99 73.41 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.945 -0.55 . . . . 0.0 111.425 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.96 -59.39 3.54 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.268 0.627 . . . . 0.0 111.411 171.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.6 mt -51.52 -42.53 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 125.126 1.37 . . . . 0.0 112.142 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.87 -39.05 68.26 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.904 0.881 . . . . 0.0 112.918 171.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.85 6.33 81.92 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 127.05 2.262 . . . . 0.0 115.77 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.0 mmt -113.22 -33.59 5.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.877 1.838 . . . . 0.0 113.156 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -56.15 105.27 0.18 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.657 0.783 . . . . 0.0 110.341 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.08 15.46 81.07 Favored Glycine 0 CA--C 1.534 1.257 0 N-CA-C 116.469 1.348 . . . . 0.0 116.469 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -72.99 175.17 6.88 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.127 1.964 . . . . 0.0 112.17 172.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.27 139.95 35.21 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.249 1.02 . . . . 0.0 110.664 154.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.63 135.9 33.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.766 1.626 . . . . 0.0 109.273 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.8 t0 50.15 25.3 1.7 Allowed 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -167.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.51 3.37 90.65 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.96 1.743 . . . . 0.0 115.721 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -112.01 146.83 37.2 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.924 1.69 . . . . 0.0 109.77 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.2 m -55.37 129.7 39.62 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.477 1.035 . . . . 0.0 111.327 170.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.2 tt -101.72 144.59 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.346 1.059 . . . . 0.0 111.659 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.1 t -128.99 140.38 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 126.412 1.885 . . . . 0.0 109.429 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.4 m -126.85 151.07 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.158 1.383 . . . . 0.0 112.605 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -156.23 158.32 37.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.663 1.185 . . . . 0.0 111.811 162.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -56.35 149.34 16.84 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.256 1.022 . . . . 0.0 111.844 170.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.3 15.84 4.55 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -172.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -58.9 -23.39 61.04 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 120.001 -1.687 . . . . 0.0 113.339 173.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 m -58.35 -17.21 18.38 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 119.883 1.22 . . . . 0.0 113.859 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -117.52 21.68 12.87 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.948 2.499 . . . . 0.0 112.681 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.96 -173.57 35.39 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.658 1.123 . . . . 0.0 114.322 173.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -53.89 139.13 34.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.759 1.224 . . . . 0.0 112.333 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.31 -12.7 5.35 Favored Glycine 0 CA--C 1.54 1.616 0 N-CA-C 115.553 0.981 . . . . 0.0 115.553 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.323 0 C-N-CA 125.857 1.694 . . . . 0.0 115.465 176.438 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.76 93.61 4.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.342 1.057 . . . . 0.0 109.13 170.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -103.69 103.8 13.75 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 126.738 2.015 . . . . 0.0 110.658 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.4 p -140.4 73.59 1.43 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 147.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.52 -73.32 0.66 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.74 1.155 . . . . 0.0 110.432 167.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.18 -19.53 12.49 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.663 1.125 . . . . 0.0 113.764 173.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.46 142.36 28.04 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.646 1.578 . . . . 0.0 111.182 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -141.45 156.94 45.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.756 1.223 . . . . 0.0 112.805 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.53 79.6 1.23 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.089 1.356 . . . . 0.0 109.689 171.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -142.59 145.92 34.04 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.842 2.057 . . . . 0.0 110.722 -176.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.7 p -143.98 150.73 38.74 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -73.54 141.73 46.69 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.659 1.184 . . . . 0.0 110.904 164.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.44 145.81 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.51 1.924 . . . . 0.0 111.425 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.29 124.63 1.3 Allowed Glycine 0 N--CA 1.468 0.772 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 170.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.8 p -162.24 24.18 0.11 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.435 2.294 . . . . 0.0 111.564 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.77 168.88 10.38 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.709 1.243 . . . . 0.0 111.875 -166.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -136.71 177.05 8.16 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.946 2.499 . . . . 0.0 109.09 173.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -50.76 -21.46 1.65 Allowed 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 169.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -93.48 -32.25 14.26 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.494 1.117 . . . . 0.0 113.843 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.03 153.08 29.05 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.223 0.92 . . . . 0.0 111.854 174.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.05 -160.73 1.21 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 169.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -49.14 -31.87 9.03 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.426 1.09 . . . . 0.0 113.906 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -35.46 80.6 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.407 1.003 . . . . 0.0 112.142 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.3 -39.11 62.45 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.044 0.83 . . . . 0.0 112.798 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.31 -39.75 85.93 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.508 0.723 . . . . 0.0 112.357 171.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.98 -45.32 93.07 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.959 0.904 . . . . 0.0 110.577 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.02 89.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.649 0.78 . . . . 0.0 112.668 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -33.07 72.93 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -175.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -103.34 -13.06 16.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 174.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -55.37 -22.21 18.64 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 m -83.1 -11.39 58.04 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.548 1.539 . . . . 0.0 114.747 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -93.76 -39.58 10.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.108 1.363 . . . . 0.0 112.278 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.27 -160.44 23.1 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 123.94 0.781 . . . . 0.0 112.384 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -90.39 133.71 34.82 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 122.047 -0.678 . . . . 0.0 112.376 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 mm -75.02 136.22 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 125.045 1.338 . . . . 0.0 110.43 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.9 mt -113.03 -16.16 12.7 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.255 167.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -153.73 148.34 26.27 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.933 1.697 . . . . 0.0 112.404 169.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.94 137.42 33.08 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.529 1.132 . . . . 0.0 109.909 157.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -125.94 141.52 51.93 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.397 2.279 . . . . 0.0 109.943 -176.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.9 139.0 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.125 1.37 . . . . 0.0 109.585 166.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 tt -116.13 117.09 54.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-O 122.693 1.235 . . . . 0.0 112.366 166.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -157.59 159.32 36.96 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.721 1.608 . . . . 0.0 112.218 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -133.84 125.1 27.69 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.124 -0.985 . . . . 0.0 109.742 146.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -77.17 -38.78 51.05 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.514 0.597 . . . . 0.0 111.333 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.91 -42.32 90.3 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.836 2.055 . . . . 0.0 113.088 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -94.81 16.57 15.53 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.086 1.355 . . . . 0.0 113.801 170.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.57 11.03 72.1 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 116.79 1.476 . . . . 0.0 116.79 166.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -108.89 70.98 0.76 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.893 2.077 . . . . 0.0 112.682 -171.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.3 m -73.94 107.21 6.02 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 161.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmp_? -70.8 -30.81 67.37 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.65 -0.656 . . . . 0.0 111.083 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.21 22.74 67.4 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 123.819 0.723 . . . . 0.0 113.517 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -135.97 172.57 12.81 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 127.115 2.166 . . . . 0.0 111.019 -168.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.29 -177.01 41.48 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 125.237 1.399 . . . . 0.0 113.72 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -113.48 154.85 26.36 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.562 1.145 . . . . 0.0 110.351 162.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.41 143.55 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.435 1.094 . . . . 0.0 109.555 170.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 p -129.07 143.98 51.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.23 1.014 . . . . 0.0 112.778 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.12 -172.65 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 127.015 2.126 . . . . 0.0 110.518 -170.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 p -123.98 -10.39 7.67 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -144.1 151.08 39.11 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.374 1.443 . . . . 0.0 114.361 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -70.4 -42.48 71.62 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.3 1.44 . . . . 0.0 113.46 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -71.53 -35.47 70.69 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.918 -1.114 . . . . 0.0 111.617 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.33 -44.74 94.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.405 1.082 . . . . 0.0 111.531 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.6 ttt -57.01 -40.39 76.53 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.193 0.597 . . . . 0.0 111.742 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -80.05 -29.87 39.31 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.877 1.217 . . . . 0.0 113.707 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -67.79 -34.51 76.91 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.271 0.941 . . . . 0.0 110.006 168.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.23 -58.23 3.46 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.4 mm -58.2 -37.38 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 120.217 1.371 . . . . 0.0 112.802 -174.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -72.57 -26.37 61.69 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.79 1.177 . . . . 0.0 113.67 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.8 -7.49 59.97 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.822 1.677 . . . . 0.0 115.685 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.1 mmt -91.96 -41.55 10.51 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.622 1.569 . . . . 0.0 112.562 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -65.88 113.48 4.4 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.628 -0.67 . . . . 0.0 111.529 -163.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.26 5.03 83.27 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 118.103 -1.387 . . . . 0.0 116.112 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -59.04 132.95 55.56 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.118 1.959 . . . . 0.0 110.129 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -75.04 108.48 7.8 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 167.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 tt -132.93 132.51 42.08 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.957 1.703 . . . . 0.0 111.197 -170.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.8 t70 51.43 20.31 0.97 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.231 1.413 . . . . 0.0 114.66 -172.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.82 11.84 61.33 Favored Glycine 0 CA--C 1.541 1.702 0 N-CA-C 116.42 1.328 . . . . 0.0 116.42 -174.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -134.67 162.12 33.22 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.234 1.814 . . . . 0.0 111.015 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 t -88.76 124.07 33.78 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.056 -1.027 . . . . 0.0 111.328 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.1 tt -88.46 153.72 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-O 121.777 0.799 . . . . 0.0 113.074 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.97 144.22 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.321 1.849 . . . . 0.0 108.248 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -132.33 139.12 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.075 0.95 . . . . 0.0 112.701 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -157.03 149.0 22.73 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.494 0.718 . . . . 0.0 112.931 161.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.49 153.82 15.22 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.204 1.801 . . . . 0.0 114.119 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -116.94 23.15 12.11 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.503 1.521 . . . . 0.0 113.274 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -92.43 -40.8 10.66 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.901 1.68 . . . . 0.0 112.501 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.0 m -73.0 -35.51 66.84 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.003 0.921 . . . . 0.0 113.327 -174.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -66.75 -28.7 68.62 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.768 1.227 . . . . 0.0 112.627 175.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.11 0.44 58.89 Favored Glycine 0 CA--C 1.534 1.229 0 N-CA-C 115.509 0.964 . . . . 0.0 115.509 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -69.55 142.96 53.52 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.942 1.371 . . . . 0.0 111.647 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.29 -4.68 66.42 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.445 1.021 . . . . 0.0 115.465 -171.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.199 0 C-N-CA 126.245 1.879 . . . . 0.0 112.911 173.591 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.65 115.63 12.33 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.242 1.017 . . . . 0.0 110.612 166.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -76.38 79.15 3.12 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 123.285 1.517 . . . . 0.0 113.134 -177.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 p -124.81 -177.59 3.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.723 2.409 . . . . 0.0 110.12 173.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -52.23 -31.01 30.18 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -162.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.35 -33.76 78.33 Favored Glycine 0 CA--C 1.534 1.261 0 O-C-N 121.305 -0.872 . . . . 0.0 113.756 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.71 72.29 1.23 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.819 1.248 . . . . 0.0 112.753 -176.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -122.75 157.41 32.41 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.077 1.351 . . . . 0.0 111.794 172.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -113.78 75.77 0.94 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.73 0.776 . . . . 0.0 109.857 -170.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -142.13 136.72 30.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.471 1.909 . . . . 0.0 110.961 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.8 p -147.36 158.08 43.83 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.943 0.897 . . . . 0.0 113.226 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -95.86 149.42 21.55 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.295 2.238 . . . . 0.0 111.79 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.19 131.7 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.619 1.567 . . . . 0.0 112.251 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.02 135.52 12.7 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.678 1.132 . . . . 0.0 110.807 160.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p 170.22 -13.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 126.196 1.798 . . . . 0.0 114.735 171.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 mt -79.12 158.15 27.81 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.695 -1.253 . . . . 0.0 112.742 -163.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 m -140.54 175.67 9.41 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 128.614 2.766 . . . . 0.0 109.885 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -48.36 -30.47 4.98 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -100.29 -2.68 33.06 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.683 1.193 . . . . 0.0 113.904 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.34 154.88 18.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.057 0.943 . . . . 0.0 110.175 162.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -148.08 -172.12 3.99 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.917 0.887 . . . . 0.0 110.281 162.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -54.21 -44.81 71.97 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.971 1.309 . . . . 0.0 113.805 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -57.54 -43.6 84.54 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.44 -31.08 77.77 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 119.5 -0.611 . . . . 0.0 113.869 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.87 -38.81 52.93 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.026 0.913 . . . . 0.0 111.791 168.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.51 -41.82 86.31 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.757 1.162 . . . . 0.0 111.122 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.45 -41.12 96.71 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.851 0.861 . . . . 0.0 112.693 174.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.32 -24.37 63.0 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -88.14 -29.6 20.45 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.365 1.466 . . . . 0.0 113.956 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 m -61.5 -21.56 64.32 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.67 -0.643 . . . . 0.0 111.51 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 m -62.16 -18.87 62.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.919 1.687 . . . . 0.0 114.351 171.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.76 -35.09 11.09 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.857 -1.152 . . . . 0.0 113.922 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.8 -158.0 26.66 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 119.005 0.82 . . . . 0.0 114.625 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.83 130.94 37.29 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 122.266 1.031 . . . . 0.0 113.437 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.3 tt -118.95 139.24 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 126.213 1.805 . . . . 0.0 112.313 -170.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -106.2 -31.33 8.71 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.746 1.218 . . . . 0.0 113.219 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -168.44 155.78 7.82 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.535 1.134 . . . . 0.0 111.242 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.76 147.09 51.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.529 0.731 . . . . 0.0 109.286 152.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -107.03 138.49 43.09 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.499 1.52 . . . . 0.0 110.09 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.2 144.35 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.644 1.178 . . . . 0.0 110.248 162.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 tp -127.99 133.33 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-O 122.869 1.318 . . . . 0.0 113.371 166.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -158.16 157.35 32.54 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 130.204 3.402 . . . . 0.0 107.009 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -110.14 91.2 3.56 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.372 0.987 . . . . 0.0 111.282 156.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -52.1 -23.88 6.03 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.55 1.94 . . . . 0.0 114.115 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -58.73 -38.83 79.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.283 1.033 . . . . 0.0 112.399 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -119.55 -13.75 9.17 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.776 1.23 . . . . 0.0 113.085 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.94 30.0 11.99 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.732 1.634 . . . . 0.0 114.463 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -78.43 80.77 4.81 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.738 1.269 . . . . 0.0 110.859 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 p -67.04 119.64 12.33 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.637 0.775 . . . . 0.0 111.409 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -75.33 -32.13 60.81 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.865 -1.147 . . . . 0.0 110.593 167.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.94 14.24 82.21 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.96 1.743 . . . . 0.0 115.483 165.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -132.43 171.78 13.31 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.657 1.583 . . . . 0.0 111.758 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.68 173.47 36.42 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.159 1.361 . . . . 0.0 113.026 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -115.75 159.78 20.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.41 0.684 . . . . 0.0 111.538 160.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 p -134.76 146.82 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.758 1.623 . . . . 0.0 110.364 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -137.3 142.92 41.89 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.152 0.981 . . . . 0.0 112.957 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -122.44 159.75 26.96 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.73 1.612 . . . . 0.0 112.992 -169.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.9 m -70.77 -24.63 62.63 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 171.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -137.28 151.65 48.91 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.99 1.316 . . . . 0.0 112.239 -168.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -72.81 -44.72 61.14 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.763 1.225 . . . . 0.0 111.645 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -65.07 -32.03 73.53 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.873 -0.585 . . . . 0.0 111.909 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.95 83.56 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.538 0.735 . . . . 0.0 111.546 173.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.0 ttp -61.25 -44.71 96.8 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.367 0.531 . . . . 0.0 111.742 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -72.23 -37.57 69.15 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.624 -0.672 . . . . 0.0 112.277 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.2 -27.33 61.56 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.711 0.805 . . . . 0.0 111.952 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.73 -57.3 7.4 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.022 0.529 . . . . 0.0 111.031 169.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.0 mt -51.3 -45.33 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.833 1.253 . . . . 0.0 111.671 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -61.5 -30.56 70.7 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.847 0.859 . . . . 0.0 113.128 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.18 -15.0 63.25 Favored Glycine 0 CA--C 1.539 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 115.307 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.3 mmt -95.65 -31.56 13.2 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -166.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -61.16 100.0 0.11 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.681 1.128 . . . . 0.0 111.602 -172.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.83 5.14 66.68 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-O 117.439 -1.756 . . . . 0.0 116.652 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -59.95 139.18 57.58 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 120.631 2.215 . . . . 0.0 111.126 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -80.19 125.38 29.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 110.242 166.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 tp -146.26 137.6 24.6 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 125.09 1.356 . . . . 0.0 110.599 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.3 t0 48.63 24.4 0.78 Allowed 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -172.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.88 16.83 80.43 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 126.181 1.848 . . . . 0.0 116.39 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -124.22 160.51 27.75 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.171 1.788 . . . . 0.0 111.235 174.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.7 m -94.55 126.77 40.04 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.083 0.553 . . . . 0.0 111.01 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.4 mt -75.63 146.56 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.435 1.094 . . . . 0.0 112.201 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.7 t -127.1 135.68 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.354 1.462 . . . . 0.0 109.161 163.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.84 139.07 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.805 1.642 . . . . 0.0 112.836 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -151.74 152.54 32.86 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 164.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 142.46 56.96 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.788 1.235 . . . . 0.0 113.444 176.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.23 -10.96 55.96 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -67.5 -37.05 82.26 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.017 -1.052 . . . . 0.0 112.826 -171.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 p -77.88 -16.01 58.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.055 1.742 . . . . 0.0 113.984 170.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -77.14 22.4 0.21 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.222 1.409 . . . . 0.0 113.374 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.81 163.8 32.95 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.388 1.47 . . . . 0.0 113.461 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -153.56 141.99 20.7 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.891 1.676 . . . . 0.0 110.1 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.24 -129.33 9.11 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.77 0.7 . . . . 0.0 112.708 -174.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.889 177.355 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.5 mmm . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.03 104.33 12.88 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.49 1.516 . . . . 0.0 108.042 163.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -81.59 82.92 7.19 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.002 0.921 . . . . 0.0 112.414 -170.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.7 178.09 3.23 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.068 0.947 . . . . 0.0 112.335 172.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.2 -15.87 38.93 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -164.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.76 -22.46 28.34 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.634 1.112 . . . . 0.0 114.392 175.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.63 -173.87 4.38 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.899 1.28 . . . . 0.0 110.873 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -138.2 132.1 31.32 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.749 -1.219 . . . . 0.0 112.16 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.56 75.24 9.75 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 123.884 1.802 . . . . 0.0 109.772 172.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -143.2 142.13 31.33 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 129.862 3.265 . . . . 0.0 107.071 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.84 153.31 47.57 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.929 0.786 . . . . 0.0 111.885 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -88.3 146.53 25.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.965 1.706 . . . . 0.0 109.76 168.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 t -135.15 103.59 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.298 1.439 . . . . 0.0 109.12 -166.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.98 118.22 6.11 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 172.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 p -175.85 -34.18 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.0 mt -66.6 167.04 11.65 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 123.419 1.58 . . . . 0.0 113.602 -162.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -148.21 175.16 11.28 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.293 1.837 . . . . 0.0 110.293 -171.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -46.7 -33.58 4.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.321 1.849 . . . . 0.0 114.527 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -98.11 -15.49 19.94 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.13 147.25 23.2 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 119.994 1.27 . . . . 0.0 112.772 -178.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -146.24 -174.37 4.43 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -50.31 -49.78 52.69 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.947 1.699 . . . . 0.0 113.463 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -26.79 65.0 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.58 -45.8 10.55 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.81 1.195 . . . . 0.0 113.656 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.17 -38.23 81.84 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.094 1.447 . . . . 0.0 110.85 172.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.54 -47.1 66.94 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.86 0.864 . . . . 0.0 111.658 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.77 87.91 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.409 1.004 . . . . 0.0 113.586 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.0 -41.05 62.48 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.431 0.692 . . . . 0.0 112.089 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -70.08 -29.3 66.25 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.851 -1.155 . . . . 0.0 112.433 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.0 t -64.71 -20.07 66.12 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.43 1.092 . . . . 0.0 112.953 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -69.47 -13.64 62.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.486 1.114 . . . . 0.0 113.85 172.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -98.76 -42.39 7.23 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.583 1.153 . . . . 0.0 112.192 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.74 -174.48 38.7 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 115.143 0.817 . . . . 0.0 115.143 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.54 129.82 37.01 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.211 1.804 . . . . 0.0 112.345 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mm -105.27 144.31 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.598 1.559 . . . . 0.0 112.985 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.1 mt -102.65 -46.12 4.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.749 1.62 . . . . 0.0 113.034 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -154.6 152.91 30.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.329 1.052 . . . . 0.0 112.146 -169.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.46 142.65 37.37 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.023 1.329 . . . . 0.0 111.031 160.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -107.62 148.07 29.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.896 2.078 . . . . 0.0 109.156 171.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.46 144.81 31.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 125.077 1.351 . . . . 0.0 108.47 162.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 tp -115.65 110.44 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 122.611 1.196 . . . . 0.0 112.071 172.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -152.38 115.66 4.71 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.982 1.713 . . . . 0.0 109.062 171.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -93.54 87.74 5.64 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 167.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -63.59 -34.61 78.19 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.845 1.258 . . . . 0.0 113.221 -168.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.93 -19.73 64.2 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.215 0.916 . . . . 0.0 112.988 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.6 m -90.97 -12.28 36.44 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 120.73 -1.232 . . . . 0.0 111.963 168.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.7 21.43 78.86 Favored Glycine 0 CA--C 1.538 1.516 0 O-C-N 120.869 -1.144 . . . . 0.0 113.349 -170.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -98.16 70.6 2.07 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 127.046 2.138 . . . . 0.0 110.663 -164.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p -81.43 96.3 7.33 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.906 1.683 . . . . 0.0 111.284 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -72.73 -24.37 60.97 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.986 -1.071 . . . . 0.0 112.719 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.54 33.11 61.23 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 118.465 0.575 . . . . 0.0 114.534 165.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -150.82 172.65 15.29 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.367 1.467 . . . . 0.0 111.2 173.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.4 -179.61 37.93 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.556 1.074 . . . . 0.0 113.761 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.02 160.56 18.0 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.594 1.158 . . . . 0.0 110.767 164.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.55 142.21 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.078 1.751 . . . . 0.0 109.932 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.1 t -135.2 138.66 43.84 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.325 0.966 . . . . 0.0 113.365 -172.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -115.36 162.34 17.26 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.966 1.707 . . . . 0.0 112.781 -175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.5 p -94.24 -6.1 45.38 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -139.66 151.27 45.81 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.545 1.066 . . . . 0.0 113.173 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.21 -41.44 90.15 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.221 1.808 . . . . 0.0 113.12 -173.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -78.78 -22.43 46.38 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.002 0.921 . . . . 0.0 112.754 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.13 -46.72 66.93 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.55 -1.344 . . . . 0.0 110.891 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.9 tpt -48.8 -52.31 24.69 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.25 1.82 . . . . 0.0 112.849 169.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -84.09 -26.96 28.56 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -73.01 -26.87 61.48 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.895 -1.128 . . . . 0.0 111.722 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.42 -60.31 2.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.564 0.745 . . . . 0.0 111.504 168.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.9 mt -46.84 -48.23 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.159 1.384 . . . . 0.0 112.903 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.95 -21.74 64.17 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.37 -38.42 21.55 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.251 -0.905 . . . . 0.0 113.216 165.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 22.5 mmt -73.96 -31.96 63.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.388 1.875 . . . . 0.0 114.244 -174.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -58.03 104.5 0.2 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.725 0.81 . . . . 0.0 110.713 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.92 19.41 75.29 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 115.856 1.103 . . . . 0.0 115.856 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -78.26 -170.57 2.05 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.167 1.484 . . . . 0.0 112.965 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -129.86 110.48 11.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.953 1.701 . . . . 0.0 110.472 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mp -125.28 141.34 52.14 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.204 1.802 . . . . 0.0 109.552 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 52.63 25.4 3.68 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.646 1.179 . . . . 0.0 113.628 -172.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.2 12.3 72.02 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 120.74 -1.225 . . . . 0.0 114.574 -173.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -112.67 161.88 16.35 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 127.336 2.254 . . . . 0.0 109.755 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -67.94 148.9 50.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.703 0.401 . . . . 0.0 111.588 163.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.5 tt -129.42 147.31 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.793 1.237 . . . . 0.0 111.744 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.6 t -130.75 141.57 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.989 2.116 . . . . 0.0 108.313 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 m -124.52 150.37 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.113 1.365 . . . . 0.0 112.041 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -143.75 157.81 44.13 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.492 0.663 . . . . 0.0 111.049 154.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -59.38 142.03 53.18 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.642 0.777 . . . . 0.0 111.881 164.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.63 -25.82 65.93 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.284 -0.885 . . . . 0.0 113.082 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -56.68 -28.31 60.53 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.778 0.831 . . . . 0.0 112.196 173.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.1 m -68.73 -16.47 63.82 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.681 -1.262 . . . . 0.0 113.196 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -119.26 11.03 12.17 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.179 2.191 . . . . 0.0 112.585 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.03 133.86 52.52 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.447 1.022 . . . . 0.0 114.294 -166.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -66.45 144.08 56.72 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.363 1.065 . . . . 0.0 111.9 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.99 -10.52 33.03 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.877 1.227 . . . . 0.0 114.672 -172.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 C-N-CA 125.667 1.603 . . . . 0.0 113.601 -178.811 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 119.601 -0.238 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.96 93.02 2.95 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.435 1.094 . . . . 0.0 111.529 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.88 80.1 2.29 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.421 1.088 . . . . 0.0 110.411 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -61.97 168.07 3.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.856 1.262 . . . . 0.0 113.633 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -62.05 -30.73 71.18 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.337 -1.477 . . . . 0.0 113.183 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.59 -10.92 85.33 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.049 1.309 . . . . 0.0 115.429 171.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -107.33 -167.2 1.23 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.071 1.748 . . . . 0.0 112.499 -172.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -137.85 149.82 46.62 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -80.32 103.02 9.9 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.413 1.485 . . . . 0.0 109.309 176.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.0 ttp-105 -143.41 138.0 29.04 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.159 1.384 . . . . 0.0 112.888 -175.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -139.54 154.25 47.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.811 1.244 . . . . 0.0 113.486 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -77.13 145.62 37.66 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.902 2.081 . . . . 0.0 111.733 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.45 109.14 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.597 1.559 . . . . 0.0 111.474 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.21 117.37 5.5 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 166.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.94 2.12 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.906 1.282 . . . . 0.0 114.332 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.6 mt -99.49 165.96 11.39 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.867 -1.146 . . . . 0.0 111.642 -170.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.3 p -125.97 -179.97 4.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 127.468 2.307 . . . . 0.0 109.217 166.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.6 p-90 -57.72 -15.41 7.85 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 167.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -93.63 -35.32 12.92 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.66 156.58 39.21 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.765 0.711 . . . . 0.0 110.75 174.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -147.46 -170.26 3.52 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 166.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.08 -24.28 64.47 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -73.22 -22.01 60.53 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.127 -0.983 . . . . 0.0 113.383 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.02 73.09 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-N 118.825 0.739 . . . . 0.0 112.214 168.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.96 -44.34 73.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.152 0.981 . . . . 0.0 112.559 168.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -56.39 -38.4 71.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.001 0.92 . . . . 0.0 111.438 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -51.05 26.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.327 0.651 . . . . 0.0 112.66 171.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.76 -31.01 66.08 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -98.0 -14.3 20.63 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.729 1.212 . . . . 0.0 113.929 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 m -63.36 -19.93 65.08 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -59.26 -33.79 71.47 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.645 1.178 . . . . 0.0 113.407 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -89.13 -29.44 19.35 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.24 -172.56 39.54 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 116.449 1.34 . . . . 0.0 116.449 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -72.57 126.11 29.09 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.543 1.137 . . . . 0.0 109.173 170.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.6 tp -109.58 146.0 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.461 1.104 . . . . 0.0 110.972 -166.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -109.52 -54.71 2.52 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.823 0.849 . . . . 0.0 111.569 -170.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.7 167.11 31.0 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.31 151.74 35.9 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.028 155.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.88 148.01 24.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.98 2.112 . . . . 0.0 109.551 173.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.6 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.65 1.18 . . . . 0.0 110.192 168.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 tp -129.85 118.62 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.95 0.9 . . . . 0.0 112.967 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -158.61 148.0 19.19 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.932 2.093 . . . . 0.0 110.121 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -134.72 117.88 16.5 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.29 -0.881 . . . . 0.0 111.653 145.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -72.23 -33.15 67.35 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.678 0.672 . . . . 0.0 112.225 172.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.32 -52.1 65.02 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.869 0.867 . . . . 0.0 111.995 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.3 p -86.1 6.16 30.38 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 172.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.05 29.95 75.23 Favored Glycine 0 CA--C 1.536 1.397 0 O-C-N 121.01 -1.056 . . . . 0.0 115.237 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -110.97 71.63 0.75 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.678 1.991 . . . . 0.0 111.065 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 p -86.99 89.91 8.16 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.467 1.107 . . . . 0.0 111.006 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -70.17 -34.78 73.4 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.27 -0.894 . . . . 0.0 111.368 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.65 23.74 73.9 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.092 0.797 . . . . 0.0 115.092 169.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -136.51 171.34 14.63 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.714 1.606 . . . . 0.0 111.577 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.31 -178.64 28.07 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 124.769 1.176 . . . . 0.0 113.12 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -112.45 154.65 25.52 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.122 0.969 . . . . 0.0 109.191 159.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.9 p -135.26 145.8 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.104 1.362 . . . . 0.0 110.116 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -138.64 142.46 39.06 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.284 1.033 . . . . 0.0 113.597 -170.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -114.28 168.64 9.66 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.291 2.237 . . . . 0.0 112.059 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.6 p -99.15 -10.15 22.87 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 172.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -140.44 158.73 43.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.305 1.442 . . . . 0.0 114.193 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -71.67 -39.95 69.93 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.624 1.57 . . . . 0.0 112.157 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.15 -34.94 74.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.182 0.993 . . . . 0.0 112.565 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.47 -48.59 11.67 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.908 0.883 . . . . 0.0 111.944 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.8 tpt -46.33 -55.96 6.52 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.969 1.708 . . . . 0.0 112.711 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -84.74 -28.4 26.29 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.88 -31.18 64.52 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.866 -0.521 . . . . 0.0 111.647 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.62 -56.14 15.79 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.38 0.536 . . . . 0.0 110.662 170.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.8 mt -52.03 -49.49 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.237 1.015 . . . . 0.0 112.182 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -65.4 -18.28 65.19 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.43 -12.15 45.8 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.267 1.413 . . . . 0.0 115.058 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.7 mmt -86.92 -42.97 12.76 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.166 1.483 . . . . 0.0 114.539 -167.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -62.78 106.49 0.81 Allowed 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 118.938 0.79 . . . . 0.0 112.712 -161.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.88 -6.58 54.5 Favored Glycine 0 CA--C 1.539 1.584 0 N-CA-C 117.317 1.687 . . . . 0.0 117.317 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -63.53 155.54 29.11 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 120.708 2.254 . . . . 0.0 111.898 173.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -84.96 112.28 20.45 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.499 0.666 . . . . 0.0 111.941 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.26 126.52 45.27 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.445 1.498 . . . . 0.0 109.212 176.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.2 t70 48.86 32.73 3.9 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.528 1.931 . . . . 0.0 114.325 -162.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.4 70.2 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.63 1.109 . . . . 0.0 115.615 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -105.58 149.2 26.49 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.306 1.842 . . . . 0.0 110.426 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.9 m -78.99 112.16 15.91 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tt -72.44 154.24 7.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 122.044 0.926 . . . . 0.0 112.312 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.1 t -126.14 130.52 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 125.267 1.427 . . . . 0.0 107.84 168.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 m -117.09 137.89 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.437 1.095 . . . . 0.0 111.916 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -153.89 153.79 32.71 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.906 0.882 . . . . 0.0 111.841 158.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.07 142.77 53.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.417 1.087 . . . . 0.0 113.867 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.28 0.96 4.15 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.737 1.215 . . . . 0.0 114.214 -175.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -55.57 -40.32 71.8 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.229 -0.92 . . . . 0.0 110.013 167.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.0 p -61.2 -27.09 68.17 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -79.86 -13.04 59.68 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -172.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -77.26 -151.05 4.22 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.95 0.786 . . . . 0.0 113.956 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -130.76 9.49 4.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.128 1.371 . . . . 0.0 113.834 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 152.86 -10.17 0.57 Allowed Glycine 0 CA--C 1.534 1.243 0 O-C-N 121.266 -0.896 . . . . 0.0 114.673 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 C-N-CA 127.165 2.316 . . . . 0.0 109.288 172.52 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.1 mtp . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 116.742 -1.599 . . . . 0.0 108.066 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.76 91.21 2.56 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.088 1.767 . . . . 0.0 111.207 166.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.09 100.2 13.03 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.2 1.4 . . . . 0.0 113.023 -162.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.4 p -65.15 171.69 3.53 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.353 148.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -61.3 -21.92 64.4 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 120.887 -1.133 . . . . 0.0 113.564 173.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.31 -12.03 72.13 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.377 0.989 . . . . 0.0 114.494 174.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.26 166.29 16.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.346 1.458 . . . . 0.0 112.435 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -139.98 132.51 28.68 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.868 1.267 . . . . 0.0 112.382 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.88 85.08 7.18 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 122.267 1.032 . . . . 0.0 112.097 175.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -144.02 154.23 43.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.294 1.438 . . . . 0.0 111.35 165.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.4 p -126.02 152.71 45.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.55 0.69 . . . . 0.0 112.377 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -81.31 145.16 31.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.541 1.936 . . . . 0.0 110.168 170.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.79 145.67 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 126.433 1.893 . . . . 0.0 109.807 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.97 140.66 8.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 121.951 -0.468 . . . . 0.0 113.475 167.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.04 -16.1 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.354 2.662 . . . . 0.0 112.931 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.405 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 3.1 mt -74.96 166.72 23.2 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 122.475 1.131 . . . . 0.0 113.265 -158.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -144.69 179.43 7.31 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 128.849 2.859 . . . . 0.0 107.959 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.1 p90 -53.36 -15.11 0.89 Allowed 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -85.47 -38.53 18.51 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.578 1.151 . . . . 0.0 113.446 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.94 142.4 27.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.866 1.266 . . . . 0.0 112.91 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -148.07 -168.38 3.06 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -59.1 -20.13 50.74 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -56.05 26.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.351 1.06 . . . . 0.0 110.598 168.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.0 -41.89 94.99 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.482 1.039 . . . . 0.0 112.828 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.92 -45.16 94.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.487 1.144 . . . . 0.0 112.458 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.71 -47.67 83.78 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.694 -0.629 . . . . 0.0 111.488 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.02 72.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.035 0.534 . . . . 0.0 111.928 -175.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -28.54 68.96 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.347 -0.846 . . . . 0.0 113.259 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -90.44 -23.57 20.97 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 m -54.81 -26.43 34.8 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -57.07 -36.06 70.11 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.148 0.979 . . . . 0.0 113.071 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -88.9 -26.1 21.76 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.135 1.374 . . . . 0.0 112.912 -173.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.75 163.4 29.44 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 125.441 1.496 . . . . 0.0 110.761 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -68.93 133.04 47.66 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.226 1.013 . . . . 0.0 111.584 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 mm -93.6 133.24 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.093 1.357 . . . . 0.0 111.425 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.99 -26.9 14.86 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.479 1.112 . . . . 0.0 112.753 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -161.57 154.9 21.2 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.328 1.051 . . . . 0.0 111.264 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.05 150.72 35.63 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.042 1.337 . . . . 0.0 109.964 164.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -124.47 132.07 53.49 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.809 1.644 . . . . 0.0 111.406 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -102.33 140.63 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.751 1.22 . . . . 0.0 108.519 160.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.257 10.2 tp -121.44 130.71 74.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 123.757 1.741 . . . . 0.0 112.83 168.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.5 p30 -155.82 167.01 31.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.708 2.403 . . . . 0.0 110.086 -177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -108.38 87.43 2.49 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.054 2.141 . . . . 0.0 109.518 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -67.64 -18.26 64.9 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.068 -1.02 . . . . 0.0 113.532 -172.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -65.98 -25.65 67.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.347 1.059 . . . . 0.0 112.906 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.6 p -124.53 -6.96 7.49 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.419 1.488 . . . . 0.0 114.709 173.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.28 11.84 84.92 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.286 1.422 . . . . 0.0 114.145 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -77.56 128.95 35.0 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.375 1.47 . . . . 0.0 110.604 -178.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 m -88.95 134.9 33.81 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.302 -0.874 . . . . 0.0 110.57 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -68.46 -41.79 79.7 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 119.513 1.052 . . . . 0.0 109.407 163.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 85.28 14.81 67.98 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.531 1.063 . . . . 0.0 114.435 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -118.13 169.71 9.46 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.555 1.942 . . . . 0.0 110.029 174.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.85 177.88 41.39 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.44 1.019 . . . . 0.0 113.791 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -114.27 158.21 21.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.715 1.206 . . . . 0.0 111.094 166.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.5 p -143.49 136.53 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.461 1.104 . . . . 0.0 110.733 167.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -121.83 129.05 52.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.296 1.438 . . . . 0.0 113.195 -166.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -93.1 -179.87 5.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.909 1.284 . . . . 0.0 113.486 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -105.51 -11.9 16.2 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.1 2.16 . . . . 0.0 114.488 173.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -152.46 159.38 43.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.823 1.649 . . . . 0.0 112.552 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.57 -43.97 79.35 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.097 1.359 . . . . 0.0 112.596 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -74.37 -33.19 63.01 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.143 0.977 . . . . 0.0 112.516 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.17 76.46 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.887 0.767 . . . . 0.0 112.033 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.11 -45.31 91.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.604 0.762 . . . . 0.0 111.765 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -73.94 -43.09 59.43 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.802 -0.561 . . . . 0.0 112.51 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -60.58 -36.06 77.61 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.261 1.025 . . . . 0.0 111.627 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.53 -57.63 4.56 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.063 0.545 . . . . 0.0 111.748 173.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.3 mt -51.08 -44.37 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.827 1.251 . . . . 0.0 111.96 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -69.24 -19.64 63.94 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.899 -1.125 . . . . 0.0 113.651 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.9 -3.04 58.2 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 126.903 2.192 . . . . 0.0 115.491 172.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.4 mmt -103.41 -28.22 11.94 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.191 1.797 . . . . 0.0 113.5 -174.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -54.75 97.61 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.101 1.36 . . . . 0.0 114.102 -168.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.44 8.42 66.06 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -65.42 157.23 29.94 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.023 1.911 . . . . 0.0 113.296 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -90.92 112.02 23.7 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.79 0.836 . . . . 0.0 110.415 169.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.65 133.51 52.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.861 1.264 . . . . 0.0 107.979 165.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.5 t0 50.57 28.65 3.56 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -172.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.74 3.93 90.33 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.754 1.645 . . . . 0.0 115.363 -174.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -115.72 127.07 54.86 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.396 1.879 . . . . 0.0 111.029 -170.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.6 m -78.42 110.23 13.3 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.838 0.855 . . . . 0.0 112.987 -170.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.7 pt -80.89 159.23 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.541 1.536 . . . . 0.0 114.403 -168.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.34 135.39 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.077 1.351 . . . . 0.0 108.749 166.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -120.54 130.52 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.905 2.082 . . . . 0.0 112.515 -174.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -156.34 156.58 34.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.587 1.155 . . . . 0.0 112.48 169.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -59.11 153.2 18.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.47 8.99 10.81 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -73.49 -20.97 60.54 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.812 -1.18 . . . . 0.0 113.025 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.6 p -74.25 -19.7 60.41 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 165.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -92.27 -33.1 14.78 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.465 1.506 . . . . 0.0 112.931 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.99 178.61 43.19 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.038 1.304 . . . . 0.0 113.718 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.59 149.83 45.47 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.215 1.406 . . . . 0.0 113.087 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.31 152.9 9.62 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.434 1.016 . . . . 0.0 114.052 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.269 0 CA-C-O 117.01 -1.994 . . . . 0.0 114.97 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 117.599 -1.191 . . . . 0.0 108.497 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.92 85.41 2.1 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 121.86 2.118 . . . . 0.0 111.385 174.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -107.45 88.12 2.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.162 1.385 . . . . 0.0 110.333 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.2 m -88.51 -174.67 4.67 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.923 1.289 . . . . 0.0 112.846 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.47 -20.93 63.7 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.82 -25.34 56.32 Favored Glycine 0 CA--C 1.533 1.202 0 O-C-N 121.201 -0.937 . . . . 0.0 113.921 168.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.59 -167.48 1.76 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.562 1.545 . . . . 0.0 111.809 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.13 135.21 32.27 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.082 -1.011 . . . . 0.0 112.762 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -81.62 72.69 8.66 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 123.864 1.793 . . . . 0.0 108.569 164.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -145.99 133.88 21.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 129.671 3.189 . . . . 0.0 106.905 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -131.28 151.06 51.86 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.939 0.79 . . . . 0.0 113.101 -172.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -71.74 141.67 49.77 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.479 1.512 . . . . 0.0 109.856 165.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -132.42 99.16 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.305 1.442 . . . . 0.0 108.898 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.48 135.41 12.86 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.182 0.896 . . . . 0.0 111.199 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p 169.18 -35.43 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 126.744 2.018 . . . . 0.0 112.163 170.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.06 170.18 2.32 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 124.354 2.026 . . . . 0.0 114.355 -157.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.5 m -155.83 174.57 15.13 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.538 1.935 . . . . 0.0 108.414 -176.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -54.4 -25.96 27.65 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.748 1.158 . . . . 0.0 113.96 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -85.82 -21.64 28.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.222 2.209 . . . . 0.0 113.84 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.46 152.7 18.92 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.109 1.364 . . . . 0.0 112.356 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -148.82 -170.86 3.73 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 166.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.15 -28.48 64.75 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -176.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -65.55 -38.97 91.12 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.116 0.871 . . . . 0.0 112.025 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.22 -44.25 76.56 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.537 1.065 . . . . 0.0 112.962 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -69.15 -39.82 78.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 117.945 0.873 . . . . 0.0 112.006 172.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.32 -45.26 76.34 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.742 1.155 . . . . 0.0 110.897 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.87 -31.21 72.33 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.1 -36.51 61.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.294 0.638 . . . . 0.0 112.269 174.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -83.11 -24.12 32.76 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.6 t -59.77 -23.09 62.98 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.8 p -76.5 -11.3 59.85 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.864 -1.148 . . . . 0.0 113.506 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -95.67 -24.57 16.49 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.807 1.243 . . . . 0.0 112.81 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.88 -177.03 47.08 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.628 1.011 . . . . 0.0 115.628 175.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -74.48 116.05 14.72 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.958 0.903 . . . . 0.0 110.795 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.5 mm -81.22 143.77 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.647 1.179 . . . . 0.0 112.229 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.45 -44.52 6.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.963 1.305 . . . . 0.0 111.941 169.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -146.28 149.47 33.93 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -173.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.53 128.18 21.6 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.919 1.287 . . . . 0.0 109.137 159.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -105.65 153.37 21.91 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.989 1.716 . . . . 0.0 109.72 173.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.07 141.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 125.335 1.454 . . . . 0.0 109.532 167.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 tp -125.22 117.87 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.847 0.859 . . . . 0.0 112.832 169.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -150.15 134.25 17.05 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.714 2.805 . . . . 0.0 106.94 163.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -79.88 100.97 8.29 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 122.22 2.282 . . . . 0.0 112.152 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -10.72 60.21 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 172.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.42 -54.33 6.03 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.775 0.83 . . . . 0.0 110.52 173.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 m -88.48 -5.88 57.97 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.336 1.454 . . . . 0.0 113.451 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.92 34.34 42.93 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 120.404 -1.435 . . . . 0.0 114.099 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -120.29 168.5 11.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.11 1.764 . . . . 0.0 111.546 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 p -141.84 130.95 23.29 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -81.76 -32.12 31.61 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.337 -0.852 . . . . 0.0 111.153 163.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.02 37.51 93.22 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.275 0.941 . . . . 0.0 114.186 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -150.21 176.0 11.26 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.977 1.311 . . . . 0.0 111.666 172.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.6 -173.89 30.8 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.527 1.537 . . . . 0.0 112.236 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -116.34 159.91 21.25 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.295 0.638 . . . . 0.0 112.443 161.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.08 145.1 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.627 1.571 . . . . 0.0 109.883 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 136.33 47.04 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 119.483 1.038 . . . . 0.0 112.519 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -103.08 158.05 16.57 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.549 1.539 . . . . 0.0 112.794 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m -75.95 -27.6 57.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.666 1.186 . . . . 0.0 112.859 170.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -136.89 151.78 49.47 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.89 -51.47 26.01 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.479 1.512 . . . . 0.0 113.621 -168.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -70.68 -26.17 63.31 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.287 -0.883 . . . . 0.0 112.399 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.61 74.15 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.827 1.651 . . . . 0.0 111.843 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.8 tpt -58.39 -41.75 85.56 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.442 0.697 . . . . 0.0 111.487 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -70.56 -43.74 68.87 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.464 0.705 . . . . 0.0 111.846 -178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.07 -28.68 69.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.973 0.509 . . . . 0.0 111.914 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.92 -53.85 16.04 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.547 0.739 . . . . 0.0 111.815 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.5 mt -50.52 -46.96 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.531 1.132 . . . . 0.0 110.984 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.56 -18.4 40.5 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.129 1.372 . . . . 0.0 114.099 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.01 0.94 27.07 Favored Glycine 0 CA--C 1.542 1.748 0 C-N-CA 126.186 1.85 . . . . 0.0 115.844 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mmt -101.69 -33.94 9.67 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.308 1.554 . . . . 0.0 114.781 -170.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -53.5 113.54 1.2 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.481 0.713 . . . . 0.0 110.974 -173.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.97 6.24 89.08 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 117.722 -1.599 . . . . 0.0 116.772 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -58.82 143.89 45.95 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 120.135 1.967 . . . . 0.0 111.119 172.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -86.64 126.81 34.78 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.777 0.717 . . . . 0.0 111.562 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.43 135.68 27.01 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.556 1.942 . . . . 0.0 109.135 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t70 52.94 21.26 1.94 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -175.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.0 5.49 86.02 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.012 1.292 . . . . 0.0 115.344 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -120.36 163.33 18.02 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.724 2.41 . . . . 0.0 110.661 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.4 p -98.64 134.81 41.04 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.798 1.239 . . . . 0.0 112.342 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.5 mt -80.42 141.46 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.045 0.938 . . . . 0.0 112.315 -177.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.5 t -123.76 132.72 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.988 1.715 . . . . 0.0 109.342 165.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.01 137.54 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.015 1.326 . . . . 0.0 113.246 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -158.11 158.62 35.05 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.522 1.129 . . . . 0.0 111.248 162.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.4 150.81 25.36 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.416 0.686 . . . . 0.0 112.265 172.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.35 -3.9 42.94 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -165.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -85.49 -31.78 22.6 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.339 1.427 . . . . 0.0 111.722 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.5 p -63.81 -34.82 78.77 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.062 1.745 . . . . 0.0 112.821 171.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.73 17.16 9.33 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.95 1.7 . . . . 0.0 112.353 166.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.38 177.61 50.34 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 120.776 -1.202 . . . . 0.0 113.574 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 60.42 171.11 0.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.984 1.714 . . . . 0.0 114.966 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.71 -161.18 33.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 121.25 -0.906 . . . . 0.0 113.456 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.25 0 CA-C-O 116.897 -2.057 . . . . 0.0 114.867 177.053 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.99 95.26 10.03 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.245 1.384 . . . . 0.0 108.527 165.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -79.89 82.63 5.95 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 122.336 1.065 . . . . 0.0 111.537 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.7 m -49.59 161.94 0.19 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 128.537 2.735 . . . . 0.0 112.378 163.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.81 -28.68 64.26 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 119.921 -1.737 . . . . 0.0 114.986 -166.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.66 -12.76 56.55 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.879 1.228 . . . . 0.0 116.042 173.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.32 116.37 28.22 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.469 1.134 . . . . 0.0 111.987 -175.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -141.02 166.91 23.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.662 1.185 . . . . 0.0 112.388 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -81.97 78.7 8.64 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.439 -0.788 . . . . 0.0 110.911 -176.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -143.59 156.57 44.62 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 177.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.7 p -142.59 156.7 45.12 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.15 1.38 . . . . 0.0 112.632 -174.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -100.2 139.92 35.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.07 2.148 . . . . 0.0 110.791 174.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 m -135.4 139.28 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.68 1.592 . . . . 0.0 111.951 -173.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.27 124.92 6.23 Favored Glycine 0 N--CA 1.471 1.022 0 CA-C-O 118.846 -0.975 . . . . 0.0 110.902 167.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -171.42 -33.4 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.338 1.455 . . . . 0.0 113.873 -178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.37 156.58 28.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.506 1.522 . . . . 0.0 112.848 -165.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.7 p -122.31 177.2 5.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.705 2.002 . . . . 0.0 109.88 172.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.4 p90 -51.5 -26.71 8.83 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 171.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -102.9 -8.97 20.27 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.58 150.15 26.11 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.154 1.343 . . . . 0.0 110.902 168.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -142.8 -168.29 2.73 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 165.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -55.16 -33.44 62.94 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.283 -0.886 . . . . 0.0 112.631 -176.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -55.85 -40.43 72.85 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.927 1.291 . . . . 0.0 112.197 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.82 -31.1 56.69 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.598 1.094 . . . . 0.0 113.791 -176.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.6 mt -68.46 -55.0 13.32 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 117.94 0.87 . . . . 0.0 109.672 165.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.03 -45.53 64.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.386 1.874 . . . . 0.0 111.802 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.91 -24.02 59.63 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.57 -34.96 27.57 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.066 0.947 . . . . 0.0 112.442 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -84.37 -28.11 27.2 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.694 1.198 . . . . 0.0 113.703 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -59.59 -22.49 61.86 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.26 0.937 . . . . 0.0 112.981 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 m -68.8 -18.55 64.2 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.163 -0.961 . . . . 0.0 113.316 175.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -84.33 -40.52 17.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.127 -0.983 . . . . 0.0 111.926 174.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.86 -170.68 42.01 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.758 0.694 . . . . 0.0 113.794 174.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -61.97 116.47 4.92 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.805 0.842 . . . . 0.0 112.53 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.7 mm -86.13 136.8 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.489 1.116 . . . . 0.0 110.278 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -91.78 -45.22 8.53 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.885 0.874 . . . . 0.0 111.63 173.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.52 155.94 25.08 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.35 149.74 44.53 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.399 0.68 . . . . 0.0 110.642 163.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -104.91 137.28 42.91 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.174 1.39 . . . . 0.0 109.476 171.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.67 144.2 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 124.532 1.133 . . . . 0.0 109.273 158.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.285 10.6 tp -135.44 141.46 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -157.36 165.77 34.89 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 130.878 3.671 . . . . 0.0 107.943 174.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.55 126.44 30.78 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.378 -0.826 . . . . 0.0 110.548 167.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -24.7 59.59 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -78.03 -48.95 14.97 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.586 1.154 . . . . 0.0 112.458 -176.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.6 p -95.26 -12.0 26.97 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.69 -0.23 71.61 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.399 1.476 . . . . 0.0 114.152 -174.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 128.24 35.74 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.538 1.935 . . . . 0.0 112.599 -166.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.2 p -69.81 144.83 52.51 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -175.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -97.63 -39.26 9.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.088 0.955 . . . . 0.0 110.109 162.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.78 16.26 60.14 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.882 1.23 . . . . 0.0 115.034 169.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -134.9 166.92 21.88 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.001 1.32 . . . . 0.0 111.713 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.9 175.07 38.45 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.727 1.156 . . . . 0.0 113.217 -175.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.88 154.21 27.89 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.56 1.144 . . . . 0.0 110.191 168.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.2 t -139.57 131.85 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.266 1.426 . . . . 0.0 110.494 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.5 m -121.1 132.28 54.77 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.227 1.811 . . . . 0.0 113.035 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -108.95 159.58 16.7 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.06 2.144 . . . . 0.0 112.0 -176.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -84.37 -27.12 27.9 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -143.43 155.88 44.51 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.519 1.527 . . . . 0.0 111.127 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -72.61 -45.88 56.93 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -166.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -66.49 -26.03 66.98 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.0 -1.062 . . . . 0.0 112.983 -170.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.52 72.15 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.847 1.259 . . . . 0.0 112.618 170.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.7 ttp -60.83 -39.49 89.25 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.679 0.672 . . . . 0.0 111.147 172.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -69.84 -44.8 69.16 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.41 0.684 . . . . 0.0 112.208 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.33 -32.24 73.79 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.432 0.693 . . . . 0.0 111.482 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.85 -60.05 3.77 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.656 171.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.47 -39.63 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 O-C-N 120.797 -1.19 . . . . 0.0 112.79 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.3 -28.38 69.69 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.257 1.023 . . . . 0.0 112.929 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.32 -43.22 5.33 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.183 -0.948 . . . . 0.0 114.292 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.4 mmt -69.06 -28.0 66.14 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.078 1.751 . . . . 0.0 115.616 -161.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -55.75 92.23 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.831 1.252 . . . . 0.0 113.974 -171.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.77 8.11 58.4 Favored Glycine 0 CA--C 1.541 1.705 0 C-N-CA 126.418 1.961 . . . . 0.0 116.522 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -73.31 155.94 38.94 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.711 1.756 . . . . 0.0 114.946 -172.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -80.74 101.89 9.59 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.623 1.569 . . . . 0.0 110.919 164.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 tp -129.65 129.5 44.38 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.245 1.418 . . . . 0.0 110.92 -172.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.23 27.9 3.82 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.38 12.71 84.02 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.784 1.183 . . . . 0.0 114.842 -176.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -120.91 155.3 34.49 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.256 2.223 . . . . 0.0 112.035 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.7 p -78.7 111.38 14.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.217 0.607 . . . . 0.0 110.94 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.7 tt -98.1 140.11 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 122.171 0.986 . . . . 0.0 113.625 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 78.0 t -119.58 141.88 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.73 2.012 . . . . 0.0 108.318 172.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.53 141.77 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.934 1.294 . . . . 0.0 113.176 -176.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -152.43 157.14 40.78 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.758 0.823 . . . . 0.0 111.41 155.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.06 153.17 18.4 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.374 1.07 . . . . 0.0 112.915 172.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.38 21.77 7.19 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.365 1.466 . . . . 0.0 113.276 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -90.97 -24.22 20.19 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.713 1.205 . . . . 0.0 113.253 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.2 p -60.08 -15.49 23.62 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 170.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -68.48 -8.44 41.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.658 2.383 . . . . 0.0 113.946 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.36 151.91 51.51 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 123.729 0.68 . . . . 0.0 112.934 172.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -146.39 9.44 1.07 Allowed 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.73 -165.25 54.24 Favored Glycine 0 CA--C 1.536 1.346 0 O-C-N 120.686 -1.259 . . . . 0.0 114.701 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 C-N-CA 126.012 1.767 . . . . 0.0 113.156 171.074 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 mmt . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.03 93.99 2.99 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.853 0.861 . . . . 0.0 112.195 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -79.65 79.59 6.13 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 122.291 1.044 . . . . 0.0 112.35 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -97.91 170.22 9.1 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.631 1.572 . . . . 0.0 113.0 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -56.07 -25.14 44.09 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -166.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.86 -11.41 55.05 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.855 1.217 . . . . 0.0 115.236 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.5 55.9 1.09 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.645 1.578 . . . . 0.0 111.91 -170.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -125.69 165.51 18.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.492 1.517 . . . . 0.0 113.069 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -90.6 76.03 6.58 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.254 -0.904 . . . . 0.0 111.788 -162.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.2 ttp-105 -136.94 140.71 42.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.403 1.481 . . . . 0.0 111.607 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -142.33 155.99 45.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.526 1.13 . . . . 0.0 113.879 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -81.95 149.69 28.07 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.654 2.781 . . . . 0.0 112.657 176.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.57 132.47 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.375 1.87 . . . . 0.0 112.28 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.29 121.1 2.9 Favored Glycine 0 CA--C 1.54 1.651 0 N-CA-C 115.365 0.906 . . . . 0.0 115.365 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.67 -21.09 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 127.748 2.419 . . . . 0.0 113.918 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -75.58 163.39 27.4 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.982 1.313 . . . . 0.0 114.248 -148.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -106.04 171.08 7.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.291 1.836 . . . . 0.0 111.41 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -54.27 -14.29 1.12 Allowed 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.55 -1.343 . . . . 0.0 114.281 163.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -115.21 -20.46 10.38 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.37 138.53 38.58 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 120.69 1.586 . . . . 0.0 110.007 174.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -147.94 -170.01 3.47 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.38 -21.22 3.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.352 2.261 . . . . 0.0 115.287 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -81.91 -37.08 27.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.537 1.135 . . . . 0.0 113.599 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.8 -39.57 39.12 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.514 1.054 . . . . 0.0 112.272 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 mt -54.52 -51.39 65.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.563 0.745 . . . . 0.0 111.765 165.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.52 -42.03 70.39 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.667 0.787 . . . . 0.0 112.526 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.33 -43.17 82.24 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.292 0.951 . . . . 0.0 113.117 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.36 81.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.69 0.796 . . . . 0.0 112.092 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -74.38 -24.39 59.13 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.385 -0.822 . . . . 0.0 112.629 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.6 m -61.88 -18.01 58.63 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.225 -0.922 . . . . 0.0 113.3 173.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 t -57.83 -21.35 41.9 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.81 -1.181 . . . . 0.0 113.467 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.12 -33.67 10.69 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.69 -164.9 32.33 Favored Glycine 0 N--CA 1.475 1.238 0 CA-C-N 119.229 0.922 . . . . 0.0 113.121 -174.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -92.56 145.14 24.67 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.597 1.199 . . . . 0.0 112.963 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.4 mm -96.67 141.06 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.837 1.655 . . . . 0.0 111.969 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.3 mt -95.26 -42.71 8.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.964 1.306 . . . . 0.0 111.709 168.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -169.92 159.27 7.72 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.94 152.05 39.6 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.415 1.486 . . . . 0.0 112.063 173.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -118.83 145.11 45.92 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.241 1.816 . . . . 0.0 110.953 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.1 145.72 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.426 1.491 . . . . 0.0 108.988 161.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.6 tp -119.36 111.06 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 123.02 1.39 . . . . 0.0 112.133 163.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -154.44 96.71 1.94 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.601 1.96 . . . . 0.0 108.577 172.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -81.78 116.91 21.69 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.493 0.588 . . . . 0.0 111.142 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -77.54 -12.28 59.95 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 174.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -75.1 -59.33 2.79 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.03 0.832 . . . . 0.0 110.801 175.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.4 p -92.33 -7.32 48.23 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.1 25.72 47.49 Favored Glycine 0 N--CA 1.473 1.15 0 N-CA-C 115.934 1.134 . . . . 0.0 115.934 169.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -102.1 90.33 3.91 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.326 1.45 . . . . 0.0 111.555 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 m -78.18 100.01 6.45 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 163.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -79.15 -28.28 42.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.603 0.761 . . . . 0.0 112.441 -174.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.57 23.17 70.93 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.797 0.713 . . . . 0.0 114.876 171.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -141.51 172.38 12.76 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.563 1.145 . . . . 0.0 112.168 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.64 -177.54 41.39 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.547 1.07 . . . . 0.0 113.631 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -116.1 158.95 22.41 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.142 1.377 . . . . 0.0 111.569 169.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -145.66 141.87 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.698 1.599 . . . . 0.0 110.641 172.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -133.57 137.57 45.58 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.534 1.534 . . . . 0.0 112.941 -167.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -114.38 153.8 29.2 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.254 1.821 . . . . 0.0 113.988 -172.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.8 p -74.85 -10.41 59.47 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -143.99 156.28 44.34 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.356 1.863 . . . . 0.0 113.034 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -76.65 -43.06 39.69 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.836 1.254 . . . . 0.0 113.323 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -69.88 -36.27 75.32 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.494 -0.754 . . . . 0.0 111.883 -172.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.21 86.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.809 0.843 . . . . 0.0 112.677 168.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 47.7 ttp -62.93 -43.04 99.87 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.643 0.656 . . . . 0.0 111.764 175.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -72.37 -42.22 65.51 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.538 -0.727 . . . . 0.0 112.108 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.59 -34.96 76.52 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.367 0.667 . . . . 0.0 111.724 172.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.69 -58.49 6.72 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.623 0.647 . . . . 0.0 110.781 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.4 mm -50.63 -41.79 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.656 1.183 . . . . 0.0 112.736 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.28 -15.59 63.34 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -114.1 -16.48 7.81 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.833 1.206 . . . . 0.0 115.555 170.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.8 mmt -77.39 -26.2 51.58 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -171.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -58.26 100.75 0.07 Allowed 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 120.481 1.491 . . . . 0.0 110.833 174.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.32 7.19 70.03 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.745 1.64 . . . . 0.0 117.061 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -70.74 141.23 51.5 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 120.949 2.374 . . . . 0.0 112.594 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.33 97.04 9.74 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -173.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mp -110.97 125.57 53.84 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.999 1.32 . . . . 0.0 111.301 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t0 48.57 36.54 7.69 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.268 1.427 . . . . 0.0 113.373 -170.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.98 0.53 89.01 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.027 1.775 . . . . 0.0 115.17 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -118.86 124.66 47.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.958 1.703 . . . . 0.0 111.816 -171.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.6 m -66.76 113.94 5.25 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.262 1.425 . . . . 0.0 110.871 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.0 tt -84.52 159.94 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.184 0.993 . . . . 0.0 113.547 -167.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -123.36 138.63 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.34 1.856 . . . . 0.0 108.22 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 m -138.35 142.47 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -170.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -153.74 161.28 42.24 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.595 1.158 . . . . 0.0 111.186 161.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.94 153.79 20.36 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.852 -1.155 . . . . 0.0 113.392 174.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.78 22.26 6.34 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.748 1.619 . . . . 0.0 112.947 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -90.5 -34.43 15.57 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.577 1.151 . . . . 0.0 111.404 175.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.3 m -69.16 -16.9 63.74 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.953 1.301 . . . . 0.0 113.291 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -65.72 -32.31 73.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.825 1.65 . . . . 0.0 113.463 161.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.28 -149.4 49.93 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 123.919 0.771 . . . . 0.0 112.558 -165.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -135.43 -25.69 1.3 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 170.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.95 -162.7 23.94 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 125.394 1.473 . . . . 0.0 113.454 169.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.346 0 C-N-CA 125.524 1.535 . . . . 0.0 113.882 178.34 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtm . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 117.245 -1.36 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.7 89.75 2.87 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 120.569 1.531 . . . . 0.0 110.148 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -84.51 74.87 10.33 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.479 1.511 . . . . 0.0 113.341 -168.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.5 m -86.45 126.68 34.58 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.287 -0.883 . . . . 0.0 111.424 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -81.0 -70.16 0.55 Allowed 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.918 -1.114 . . . . 0.0 108.372 159.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.85 -30.6 4.79 Favored Glycine 0 CA--C 1.541 1.695 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 132.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.04 169.4 11.7 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.991 2.916 . . . . 0.0 111.156 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.98 154.14 43.32 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.247 1.419 . . . . 0.0 113.236 -173.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.48 80.52 3.48 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.83 1.652 . . . . 0.0 111.25 171.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.2 ttm105 -146.94 149.41 33.15 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.315 1.846 . . . . 0.0 111.825 -177.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.91 155.89 49.17 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.507 0.723 . . . . 0.0 112.907 170.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -76.35 149.86 36.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.54 1.936 . . . . 0.0 111.931 165.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.16 129.9 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.41 1.884 . . . . 0.0 110.488 172.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.36 122.32 5.01 Favored Glycine 0 N--CA 1.476 1.343 0 C-N-CA 123.695 0.664 . . . . 0.0 112.929 172.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 p -176.91 -24.46 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.185 1.794 . . . . 0.0 115.17 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.33 167.41 10.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.503 1.521 . . . . 0.0 114.088 -161.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -143.67 177.6 8.39 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.589 1.556 . . . . 0.0 112.078 -163.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -50.65 -22.07 1.87 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 167.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -113.75 -19.76 11.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.601 1.561 . . . . 0.0 114.667 -173.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.17 153.76 20.27 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.596 1.158 . . . . 0.0 112.434 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.89 -173.42 3.98 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.141 0.976 . . . . 0.0 112.797 168.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -46.0 -35.74 5.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.861 1.264 . . . . 0.0 113.274 162.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -59.75 -31.52 69.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.614 1.165 . . . . 0.0 114.115 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.69 -32.14 28.05 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.46 1.029 . . . . 0.0 113.425 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.43 -42.9 87.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.829 0.851 . . . . 0.0 111.003 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -54.06 -49.99 67.75 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.925 1.69 . . . . 0.0 111.74 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.19 90.15 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.723 -0.611 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.85 69.11 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -101.11 -20.65 15.25 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -174.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 m -57.13 -17.76 12.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 -167.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.8 p -84.63 -12.57 53.72 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 120.331 1.423 . . . . 0.0 114.751 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -86.72 -48.24 8.43 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.055 1.342 . . . . 0.0 110.134 169.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.39 150.99 20.33 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.353 0.977 . . . . 0.0 113.429 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -75.57 127.76 33.79 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.859 0.863 . . . . 0.0 111.103 173.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 mm -59.69 134.07 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -164.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tt -87.03 -44.85 11.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.515 1.526 . . . . 0.0 110.036 168.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -161.04 148.91 15.63 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.856 1.262 . . . . 0.0 110.031 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.52 139.55 35.09 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.482 0.658 . . . . 0.0 111.651 159.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -100.96 140.0 35.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.503 1.521 . . . . 0.0 108.632 176.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.71 134.6 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 124.044 0.938 . . . . 0.0 109.913 169.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 tp -113.89 117.09 54.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-O 122.6 1.19 . . . . 0.0 112.192 174.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -158.07 124.65 4.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.324 2.249 . . . . 0.0 110.176 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -96.1 93.69 7.1 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.186 0.903 . . . . 0.0 110.217 165.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -63.88 -29.29 70.49 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -173.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.95 -48.52 73.07 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.799 1.24 . . . . 0.0 111.835 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.6 p -96.7 -4.24 41.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.489 1.116 . . . . 0.0 112.852 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.02 20.86 77.2 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.604 1.097 . . . . 0.0 114.065 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -84.77 71.52 10.84 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.068 2.147 . . . . 0.0 110.936 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.89 104.26 9.4 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.883 0.873 . . . . 0.0 109.999 170.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -69.34 -25.68 64.32 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.261 1.025 . . . . 0.0 112.122 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.72 17.64 63.28 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 115.42 0.928 . . . . 0.0 115.42 163.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -140.32 168.61 19.39 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.231 -1.158 . . . . 0.0 112.294 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.36 -177.87 37.38 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.639 1.114 . . . . 0.0 114.22 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -113.38 155.19 25.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.923 1.289 . . . . 0.0 110.901 165.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.65 144.5 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.29 1.436 . . . . 0.0 109.561 168.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.8 t -142.2 147.5 36.65 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.059 1.343 . . . . 0.0 113.188 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -130.69 154.91 47.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.56 1.944 . . . . 0.0 110.901 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 p -64.92 0.23 1.28 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -136.92 147.03 46.15 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.841 1.2 . . . . 0.0 112.427 171.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -78.02 -38.85 43.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.214 1.406 . . . . 0.0 112.4 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -58.74 -50.74 72.81 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.014 0.926 . . . . 0.0 112.088 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -32.27 72.03 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.7 tpt -61.6 -41.55 97.59 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.727 0.694 . . . . 0.0 110.961 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -78.22 -33.52 49.83 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.883 0.873 . . . . 0.0 112.809 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.86 -33.63 70.67 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.894 0.878 . . . . 0.0 111.964 170.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.37 -49.65 21.81 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.778 0.831 . . . . 0.0 112.366 173.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 71.4 mt -50.2 -41.16 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 125.204 1.402 . . . . 0.0 111.833 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -57.64 -43.06 84.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.652 0.781 . . . . 0.0 112.747 177.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.43 -37.95 39.8 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 121.777 -0.577 . . . . 0.0 113.948 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.1 mmt -62.98 -32.61 74.0 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.215 1.406 . . . . 0.0 113.782 -175.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -46.62 99.82 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.555 1.542 . . . . 0.0 112.736 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.67 20.41 79.62 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-O 118.177 -1.346 . . . . 0.0 115.942 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -81.38 156.82 25.25 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.856 1.828 . . . . 0.0 113.12 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.38 120.13 21.96 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.424 -0.798 . . . . 0.0 110.586 161.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.13 129.12 33.38 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.723 2.009 . . . . 0.0 109.256 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.3 t70 52.88 23.42 2.81 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.378 -0.826 . . . . 0.0 112.584 -163.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.91 -13.67 23.75 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 126.413 1.959 . . . . 0.0 115.685 -169.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -88.14 148.35 24.47 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.025 2.13 . . . . 0.0 110.869 -174.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.7 m -80.93 109.72 15.78 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.694 -0.629 . . . . 0.0 110.652 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.9 tt -90.0 152.9 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.048 0.939 . . . . 0.0 112.658 -173.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.0 t -131.43 139.98 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.838 1.655 . . . . 0.0 108.345 171.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.54 142.55 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.525 1.53 . . . . 0.0 112.496 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -149.95 152.98 35.84 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.365 0.603 . . . . 0.0 112.352 162.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.88 147.95 41.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.825 1.25 . . . . 0.0 113.359 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.94 -10.95 18.57 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -172.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -63.31 -25.47 68.32 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.779 -1.2 . . . . 0.0 112.868 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 p -52.15 -26.56 11.69 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 168.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -86.94 -16.69 35.14 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.091 1.356 . . . . 0.0 112.881 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -86.24 -50.04 4.0 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.331 1.443 . . . . 0.0 112.79 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.6 t80 55.1 23.13 5.01 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.745 1.618 . . . . 0.0 114.759 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.74 -152.6 51.65 Favored Glycine 0 CA--C 1.534 1.236 0 O-C-N 121.208 -0.932 . . . . 0.0 113.978 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.348 0 C-N-CA 125.564 1.554 . . . . 0.0 112.797 178.021 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ppp? . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.582 0.229 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.43 99.9 6.55 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.234 1.014 . . . . 0.0 111.998 -170.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -75.13 83.47 2.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.072 1.349 . . . . 0.0 110.328 166.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.7 m -66.6 165.86 13.91 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.258 1.423 . . . . 0.0 112.246 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -67.21 -18.3 65.19 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 119.55 -1.968 . . . . 0.0 113.796 -177.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.59 -18.96 69.51 Favored Glycine 0 CA--C 1.541 1.717 0 N-CA-C 115.759 1.064 . . . . 0.0 115.759 169.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.9 122.34 6.75 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.14 1.47 . . . . 0.0 113.971 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.12 151.53 49.09 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.399 1.48 . . . . 0.0 110.236 169.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -117.64 78.99 1.29 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.834 0.826 . . . . 0.0 111.71 -166.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.61 155.09 42.21 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 170.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.2 p -132.23 151.18 51.94 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.865 1.266 . . . . 0.0 112.099 176.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -77.49 143.54 38.4 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.024 1.33 . . . . 0.0 110.016 165.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 t -141.35 140.36 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.036 1.734 . . . . 0.0 109.328 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.61 127.18 1.92 Allowed Glycine 0 N--CA 1.472 1.083 0 O-C-N 120.645 -1.284 . . . . 0.0 114.661 168.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.401 ' HG ' ' HB2' ' A' ' 78' ' ' ARG . 1.4 t -166.44 3.48 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.997 2.119 . . . . 0.0 113.27 -177.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.41 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 6.5 mt -96.95 166.47 11.59 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 123.437 1.589 . . . . 0.0 112.899 -154.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -148.54 179.37 7.86 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.833 1.653 . . . . 0.0 110.359 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -46.02 -27.07 0.84 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 163.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.85 -40.52 22.34 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 120.038 1.29 . . . . 0.0 113.319 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.94 151.1 21.87 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.106 0.963 . . . . 0.0 112.776 -174.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -150.04 -169.8 3.47 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.2 -0.938 . . . . 0.0 113.055 169.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -52.38 -34.11 46.36 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.626 1.103 . . . . 0.0 113.319 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -61.56 -30.32 70.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.829 0.852 . . . . 0.0 112.367 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.32 -37.45 36.49 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 125.051 1.31 . . . . 0.0 113.575 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.02 -45.39 63.99 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.474 1.137 . . . . 0.0 111.231 171.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.94 -35.69 64.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.923 1.289 . . . . 0.0 111.304 176.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.12 -36.95 39.8 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.35 -26.08 59.92 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -95.67 -23.28 17.08 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.57 1.148 . . . . 0.0 113.595 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 p -65.06 -16.16 63.15 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 p -68.48 -16.77 64.01 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.808 -1.183 . . . . 0.0 114.069 169.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -96.6 -26.71 15.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.754 1.221 . . . . 0.0 114.101 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.05 -167.35 39.44 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 114.916 0.726 . . . . 0.0 114.916 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -94.98 118.78 32.39 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.281 1.433 . . . . 0.0 111.06 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.2 mm -70.74 144.39 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.712 1.205 . . . . 0.0 112.598 -171.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -99.76 -49.4 4.38 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.409 1.484 . . . . 0.0 111.179 168.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -155.02 152.37 29.56 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.574 1.15 . . . . 0.0 111.567 -175.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.58 119.56 9.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.39 1.476 . . . . 0.0 108.655 166.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.91 142.1 31.84 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.291 1.436 . . . . 0.0 109.517 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.52 139.41 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 125.303 1.441 . . . . 0.0 109.578 166.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.9 tt -126.94 139.15 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.2 p30 -155.54 170.71 21.35 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.312 2.645 . . . . 0.0 110.726 -175.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -131.52 100.21 5.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.317 1.847 . . . . 0.0 109.688 170.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -72.66 -12.62 61.11 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -172.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.84 -39.95 72.67 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.647 1.112 . . . . 0.0 110.989 172.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.0 p -96.85 -2.21 44.46 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.784 1.233 . . . . 0.0 112.913 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.83 14.36 67.61 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.305 1.431 . . . . 0.0 114.173 -178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -90.21 113.83 25.71 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.862 1.265 . . . . 0.0 111.231 -168.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 m -77.96 125.51 29.45 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.358 -0.838 . . . . 0.0 109.131 166.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -70.37 -33.8 71.86 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.227 0.921 . . . . 0.0 111.244 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 91.7 14.94 56.01 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.783 1.182 . . . . 0.0 114.602 172.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -128.43 167.95 16.3 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.671 1.988 . . . . 0.0 111.388 -174.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.46 165.66 37.45 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.16 1.362 . . . . 0.0 113.144 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -113.91 133.43 55.46 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.073 0.949 . . . . 0.0 109.134 167.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.4 t -127.23 140.1 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.348 1.059 . . . . 0.0 110.555 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.6 t -140.03 149.07 42.73 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.318 1.447 . . . . 0.0 112.479 -172.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.43 150.91 30.16 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.083 1.753 . . . . 0.0 110.766 -161.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.1 m -80.89 -7.83 59.58 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -162.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -142.43 154.4 44.55 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.178 1.354 . . . . 0.0 113.57 -174.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -73.0 -42.95 62.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.981 0.912 . . . . 0.0 113.318 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -63.44 -34.69 78.3 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.273 -0.892 . . . . 0.0 111.376 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.92 -47.87 78.83 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.665 0.786 . . . . 0.0 111.903 172.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.4 -45.94 84.0 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.606 0.762 . . . . 0.0 111.604 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -80.61 -35.56 33.91 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -169.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -72.86 -31.55 64.82 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.87 0.759 . . . . 0.0 111.327 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.04 -57.72 7.12 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.292 0.497 . . . . 0.0 110.865 171.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.4 mm -52.86 -40.15 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.205 1.002 . . . . 0.0 112.225 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -63.37 -23.89 67.61 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 173.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.39 -12.12 34.18 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.038 1.304 . . . . 0.0 115.966 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.9 mmt -95.31 -35.79 11.65 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.428 1.614 . . . . 0.0 114.956 -168.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -64.88 109.79 2.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.665 1.12 . . . . 0.0 110.97 -172.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.46 19.62 71.0 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 118.303 -1.276 . . . . 0.0 115.405 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -65.7 -172.85 0.13 Allowed 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.802 1.801 . . . . 0.0 111.436 169.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -114.02 140.88 48.08 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.117 -0.989 . . . . 0.0 109.871 154.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.66 135.4 26.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.716 0.807 . . . . 0.0 110.795 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.8 t70 48.36 26.46 1.12 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.617 1.167 . . . . 0.0 113.854 -169.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.34 13.99 79.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 126.091 1.805 . . . . 0.0 115.762 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HB2' ' HG ' ' A' ' 15' ' ' SER . 10.4 mmm180 -124.17 164.11 20.16 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.171 2.189 . . . . 0.0 110.886 -170.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.5 p -82.86 121.48 26.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.357 0.663 . . . . 0.0 111.735 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.9 tt -104.55 147.97 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.209 1.004 . . . . 0.0 113.157 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.9 t -126.25 144.95 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.814 2.046 . . . . 0.0 109.344 170.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.0 m -136.56 146.93 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.148 1.379 . . . . 0.0 112.184 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -155.83 162.07 40.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.492 0.717 . . . . 0.0 112.153 152.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -59.73 152.19 23.34 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.106 -0.996 . . . . 0.0 113.2 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.32 29.92 7.03 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.135 1.774 . . . . 0.0 112.241 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -97.7 -44.09 6.91 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.968 1.707 . . . . 0.0 112.755 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.6 m -64.28 -42.1 96.59 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.585 1.084 . . . . 0.0 112.564 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -81.09 -40.37 24.2 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.267 1.827 . . . . 0.0 112.195 174.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.91 -177.05 39.03 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.048 0.833 . . . . 0.0 114.779 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -87.66 150.89 23.36 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.749 1.62 . . . . 0.0 112.135 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.63 -142.94 3.52 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.619 1.104 . . . . 0.0 113.595 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.245 0 CA-C-O 117.174 -1.904 . . . . 0.0 114.45 -177.817 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 119.409 -0.329 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.97 91.82 3.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.98 0.912 . . . . 0.0 112.002 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.16 87.91 6.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.928 1.691 . . . . 0.0 109.136 171.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -72.48 -179.23 2.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.38 1.472 . . . . 0.0 114.509 -170.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -67.27 -20.56 65.67 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.522 -1.361 . . . . 0.0 111.118 169.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.07 -55.88 7.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 121.443 -0.786 . . . . 0.0 112.212 164.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.42 51.48 2.24 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.489 1.116 . . . . 0.0 112.684 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -92.22 161.19 14.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.09 1.756 . . . . 0.0 113.339 -173.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -78.25 79.71 4.69 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.855 -1.153 . . . . 0.0 110.991 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -144.9 145.25 31.49 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.313 2.245 . . . . 0.0 111.87 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.26 159.56 41.86 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.514 1.126 . . . . 0.0 113.579 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -79.33 150.73 31.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.202 1.801 . . . . 0.0 111.862 170.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.6 m -138.08 115.78 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.645 1.578 . . . . 0.0 110.844 170.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.94 123.2 7.37 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.211 0.91 . . . . 0.0 111.694 172.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 176.22 -27.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.544 1.537 . . . . 0.0 114.6 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.69 165.99 18.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 122.334 1.064 . . . . 0.0 113.455 -156.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.9 p -151.48 177.57 10.17 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.922 1.289 . . . . 0.0 111.005 -167.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -50.04 -20.57 0.99 Allowed 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 162.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -102.97 -36.07 8.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.132 1.773 . . . . 0.0 114.22 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.58 147.15 24.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.181 0.992 . . . . 0.0 111.517 -174.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.79 -174.55 4.65 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.0 -35.05 77.38 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.507 -0.746 . . . . 0.0 112.923 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -61.79 -46.6 88.83 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.362 1.065 . . . . 0.0 112.881 -176.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.89 -40.93 84.28 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 118.303 0.501 . . . . 0.0 113.065 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.27 -42.33 75.68 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.48 0.712 . . . . 0.0 112.218 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -57.19 -41.75 79.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.549 1.14 . . . . 0.0 111.693 173.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.41 78.49 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.27 72.47 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -72.49 -33.31 66.86 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.079 -1.013 . . . . 0.0 111.401 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -57.89 -20.9 40.36 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 174.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -66.77 -25.37 66.45 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 173.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -87.99 -36.08 17.25 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.214 0.915 . . . . 0.0 113.232 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.67 -161.19 29.04 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 123.797 0.713 . . . . 0.0 113.292 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.18 129.07 35.47 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -171.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.4 tp -107.93 149.5 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.573 . . . . 0.0 112.892 -165.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -117.16 -60.71 1.8 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.183 0.993 . . . . 0.0 113.369 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.75 161.49 38.48 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.072 -1.642 . . . . 0.0 113.109 -177.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -137.49 148.15 45.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 122.88 0.472 . . . . 0.0 111.903 162.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -106.27 136.5 45.88 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.739 2.016 . . . . 0.0 110.555 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.24 138.57 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.152 1.381 . . . . 0.0 109.547 166.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.0 tp -120.15 110.14 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 122.15 0.976 . . . . 0.0 113.386 166.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -150.42 119.77 6.86 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.846 1.259 . . . . 0.0 111.328 163.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -90.17 126.92 35.98 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.191 -0.943 . . . . 0.0 112.67 173.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -17.48 53.89 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 168.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -84.46 -57.18 3.25 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.093 1.357 . . . . 0.0 111.898 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.2 p -91.92 -1.01 57.5 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.767 1.227 . . . . 0.0 112.651 174.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.23 -7.08 61.46 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 126.068 1.794 . . . . 0.0 116.522 170.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -66.6 96.67 0.4 Allowed 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 120.203 2.001 . . . . 0.0 114.06 -174.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -84.59 83.72 7.92 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.583 1.553 . . . . 0.0 109.793 167.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -68.04 -32.04 72.11 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.826 1.25 . . . . 0.0 113.302 -170.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.92 32.61 60.74 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 167.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -138.62 169.82 17.11 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.929 1.291 . . . . 0.0 110.611 168.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.82 167.84 28.75 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.241 0.925 . . . . 0.0 112.63 173.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -113.69 137.73 51.21 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.197 0.999 . . . . 0.0 109.833 166.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -129.34 143.7 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.467 1.507 . . . . 0.0 111.569 -175.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m -132.79 142.05 48.8 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.531 1.532 . . . . 0.0 111.611 -164.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -143.65 152.84 41.86 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.279 1.432 . . . . 0.0 110.65 -168.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.1 m -96.0 -17.8 20.72 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -169.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.46 152.7 40.01 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 122.574 1.178 . . . . 0.0 113.418 -170.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -82.4 -39.17 23.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.368 1.467 . . . . 0.0 113.981 -166.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -66.63 -38.34 86.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.546 0.612 . . . . 0.0 111.017 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.09 74.4 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.607 0.763 . . . . 0.0 112.262 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.3 ttt -62.42 -30.43 71.22 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -85.17 -52.79 5.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.501 1.046 . . . . 0.0 112.71 171.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -54.96 -39.78 69.29 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.816 0.846 . . . . 0.0 112.409 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.04 -56.94 5.09 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 123.56 0.744 . . . . 0.0 111.941 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.6 mm -57.58 -37.44 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.339 1.427 . . . . 0.0 112.227 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -70.05 -38.42 75.82 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.39 -32.64 24.78 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.787 1.184 . . . . 0.0 115.249 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -39.61 94.85 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.026 2.13 . . . . 0.0 111.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -47.56 106.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.241 1.016 . . . . 0.0 113.221 -173.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.82 18.79 74.47 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 118.5 -1.166 . . . . 0.0 115.408 173.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -74.17 140.52 45.21 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.049 1.924 . . . . 0.0 112.496 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -84.72 114.68 22.22 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.034 1.334 . . . . 0.0 110.017 173.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 tp -149.1 133.11 17.17 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.454 1.102 . . . . 0.0 110.697 -166.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 51.33 20.3 0.93 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -169.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.86 15.58 81.03 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.003 -1.685 . . . . 0.0 114.477 -170.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -112.05 178.96 4.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.898 2.879 . . . . 0.0 109.136 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.8 m -119.08 112.11 19.13 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.134 0.574 . . . . 0.0 110.017 166.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.3 pt -76.19 126.8 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 122.243 1.02 . . . . 0.0 111.663 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.6 t -122.33 130.31 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 125.635 1.574 . . . . 0.0 108.651 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.4 m -121.72 140.85 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.373 1.069 . . . . 0.0 113.695 -168.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -156.23 166.71 32.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.387 1.475 . . . . 0.0 111.677 157.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.75 154.19 18.75 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.869 1.668 . . . . 0.0 114.277 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.68 10.11 12.36 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.44 -12.97 60.0 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -171.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.9 m -74.15 -15.56 61.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.831 1.252 . . . . 0.0 113.704 171.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -95.52 -6.37 40.65 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -162.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -74.96 -179.57 43.38 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.83 1.681 . . . . 0.0 115.587 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -143.02 138.14 29.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.292 2.237 . . . . 0.0 112.434 -173.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.79 -21.78 13.77 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.399 1.476 . . . . 0.0 116.526 168.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.257 0 CA-C-O 117.481 -1.733 . . . . 0.0 114.0 176.522 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.07 111.41 8.0 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.205 1.802 . . . . 0.0 111.13 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -107.18 84.4 1.97 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.516 1.526 . . . . 0.0 111.832 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m -65.37 176.87 1.25 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.631 0.772 . . . . 0.0 111.104 166.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -53.13 -30.24 35.7 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -171.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.66 -12.66 77.99 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 126.284 1.897 . . . . 0.0 115.685 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.97 154.29 43.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.704 1.602 . . . . 0.0 113.04 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -141.26 165.85 26.4 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.427 1.491 . . . . 0.0 113.423 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -80.51 79.89 7.04 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.796 -1.19 . . . . 0.0 111.041 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -139.98 136.71 34.05 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.737 1.615 . . . . 0.0 111.222 -173.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 p -147.68 156.94 43.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.752 0.821 . . . . 0.0 112.92 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -75.64 146.83 39.99 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.808 1.643 . . . . 0.0 111.907 171.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.63 109.55 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.902 1.681 . . . . 0.0 110.408 172.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.03 121.66 6.99 Favored Glycine 0 N--CA 1.471 1.031 0 CA-C-O 119.247 -0.752 . . . . 0.0 112.432 174.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.9 p -178.8 -20.59 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.23 1.812 . . . . 0.0 113.95 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 mt -64.76 166.8 8.33 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 122.509 1.147 . . . . 0.0 112.613 -165.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -132.47 167.34 20.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.959 2.104 . . . . 0.0 109.308 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -50.65 -5.42 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -128.01 -6.95 5.48 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.563 1.545 . . . . 0.0 114.876 169.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.78 145.05 29.75 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.541 1.518 . . . . 0.0 109.187 172.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.21 -168.75 3.19 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 173.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -58.07 -20.04 36.49 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -61.07 -47.61 85.55 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.501 1.12 . . . . 0.0 111.61 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.8 -44.1 48.7 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 123.528 0.585 . . . . 0.0 112.553 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.7 mt -54.28 -48.38 71.3 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.462 0.705 . . . . 0.0 112.226 172.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -53.1 -43.0 66.5 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.988 0.915 . . . . 0.0 112.302 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.03 -35.37 56.99 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.5 -39.16 74.31 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.332 0.515 . . . . 0.0 111.802 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -79.98 -26.3 40.01 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.6 m -55.59 -25.06 36.37 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 171.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 m -66.93 -26.66 66.96 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -90.72 -23.65 20.64 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.6 -148.35 9.35 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.391 0.996 . . . . 0.0 113.159 174.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.29 107.7 19.31 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.699 -0.883 . . . . 0.0 112.151 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 tp -68.53 143.85 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.147 1.379 . . . . 0.0 111.869 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.2 tp -116.82 -41.25 3.06 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.469 1.108 . . . . 0.0 113.697 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -157.6 158.61 35.88 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.925 -1.109 . . . . 0.0 111.956 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.18 151.86 36.27 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 144.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -113.97 138.26 50.59 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.99 2.516 . . . . 0.0 111.653 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.83 133.43 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.934 1.294 . . . . 0.0 110.254 165.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.329 11.4 tp -124.58 132.4 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-O 123.537 1.637 . . . . 0.0 114.673 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -161.06 171.51 18.48 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.718 2.407 . . . . 0.0 112.162 -164.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -128.16 89.43 2.92 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.389 1.076 . . . . 0.0 109.508 157.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -65.43 -25.7 67.64 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.387 -0.821 . . . . 0.0 112.479 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -56.79 -54.18 49.33 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.913 1.285 . . . . 0.0 111.974 168.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 m -82.86 8.27 12.91 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.647 1.179 . . . . 0.0 112.146 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.03 23.47 67.78 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 120.478 -1.389 . . . . 0.0 115.63 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -113.16 154.37 26.77 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.964 1.882 . . . . 0.0 113.268 -174.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -114.88 140.24 49.14 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.128 1.371 . . . . 0.0 110.015 167.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -69.07 -34.89 75.87 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 165.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.14 77.48 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.259 0.933 . . . . 0.0 113.092 174.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -132.1 174.94 9.68 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.048 1.739 . . . . 0.0 109.059 169.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.17 -177.27 28.28 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 124.087 0.851 . . . . 0.0 112.098 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -110.1 148.11 32.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.811 0.844 . . . . 0.0 108.788 167.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.08 137.89 48.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 124.225 1.01 . . . . 0.0 109.86 171.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 m -129.22 144.2 51.13 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.047 0.939 . . . . 0.0 112.596 -172.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -113.43 161.25 17.54 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.838 1.655 . . . . 0.0 111.88 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.1 p -115.8 8.45 14.84 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 169.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -130.48 141.22 50.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.52 1.128 . . . . 0.0 111.024 166.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.86 -53.87 47.55 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.527 1.531 . . . . 0.0 114.035 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.59 -32.37 71.08 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.238 -0.914 . . . . 0.0 112.262 -176.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -35.15 73.88 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.347 0.659 . . . . 0.0 112.645 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.1 ttt -60.69 -45.18 95.16 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.162 0.585 . . . . 0.0 111.56 173.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -81.02 -33.06 33.87 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.718 -0.613 . . . . 0.0 112.625 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -67.63 -33.6 75.3 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.311 -0.868 . . . . 0.0 111.278 173.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.24 -60.41 2.48 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.98 0.512 . . . . 0.0 111.291 168.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.68 -34.59 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -172.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -74.11 -25.76 59.97 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.749 1.613 . . . . 0.0 113.443 173.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.57 -22.54 36.59 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.875 1.226 . . . . 0.0 115.486 174.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.7 mmt -77.53 -37.03 51.78 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.92 1.688 . . . . 0.0 113.355 -174.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -68.82 107.17 2.95 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.798 0.808 . . . . 0.0 112.521 -162.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.11 7.68 73.23 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.504 1.526 . . . . 0.0 115.377 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -68.3 154.9 40.84 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.979 1.889 . . . . 0.0 111.314 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.12 129.59 38.41 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.794 -0.566 . . . . 0.0 111.625 156.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.18 127.7 23.04 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.877 2.071 . . . . 0.0 107.529 170.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.1 t70 54.76 22.19 4.01 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -165.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.73 -3.36 64.4 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.943 2.211 . . . . 0.0 115.555 -172.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -98.34 146.11 26.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.327 2.251 . . . . 0.0 110.674 -177.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 t -76.16 117.56 17.99 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.039 0.536 . . . . 0.0 110.025 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.5 tt -97.41 145.91 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.096 0.958 . . . . 0.0 112.981 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.6 t -127.95 136.74 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.76 1.224 . . . . 0.0 108.871 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.7 m -122.72 130.12 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.246 1.018 . . . . 0.0 112.069 -172.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -151.71 148.8 28.35 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.87 0.868 . . . . 0.0 112.531 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.37 142.8 51.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.676 1.591 . . . . 0.0 113.715 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.65 -4.75 15.24 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -58.01 -28.45 64.46 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.335 1.454 . . . . 0.0 112.312 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.8 p -77.07 -15.11 59.7 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -122.35 -42.1 2.37 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 -173.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.12 162.87 35.09 Favored Glycine 0 N--CA 1.475 1.248 0 CA-C-N 120.267 1.394 . . . . 0.0 116.071 -169.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -143.26 170.69 15.28 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.759 1.224 . . . . 0.0 113.116 -160.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.26 -3.28 61.02 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 124.188 0.899 . . . . 0.0 114.312 164.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.027 1.775 . . . . 0.0 112.103 170.627 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.76 86.79 5.91 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.527 1.512 . . . . 0.0 110.052 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -62.57 93.63 0.05 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.708 1.603 . . . . 0.0 112.0 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.3 p -60.17 160.78 7.78 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.85 168.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.44 3.02 5.25 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -173.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.4 -29.99 61.11 Favored Glycine 0 CA--C 1.541 1.7 0 O-C-N 120.211 -1.555 . . . . 0.0 112.62 158.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.52 -167.06 1.44 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.551 2.74 . . . . 0.0 111.811 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -134.91 104.03 5.82 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -168.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -91.43 74.87 6.02 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 123.03 1.395 . . . . 0.0 109.47 165.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 ttm105 -143.81 144.41 31.77 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 128.303 2.641 . . . . 0.0 107.666 174.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -139.16 149.35 44.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -176.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -77.9 144.4 36.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.918 1.687 . . . . 0.0 110.541 171.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.03 113.76 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.68 1.592 . . . . 0.0 110.472 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.3 128.21 9.39 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.395 0.997 . . . . 0.0 110.933 169.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 m -174.76 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.8 1.64 . . . . 0.0 113.066 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 mt -71.02 165.05 24.31 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 122.863 1.316 . . . . 0.0 113.368 -152.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.0 p -154.19 179.51 8.89 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 125.418 1.487 . . . . 0.0 109.605 -168.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -46.33 -36.08 5.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 167.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -92.51 -23.18 19.19 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.29 150.64 21.84 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.223 1.009 . . . . 0.0 112.722 -175.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -149.91 -177.92 6.18 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -60.67 -35.32 75.96 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.357 -0.839 . . . . 0.0 112.751 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -24.99 63.72 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.468 -0.77 . . . . 0.0 112.508 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.78 -41.71 41.29 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.044 0.831 . . . . 0.0 113.187 174.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.9 mt -59.51 -47.37 85.78 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.745 0.818 . . . . 0.0 111.513 168.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.09 -48.47 81.6 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.798 -0.564 . . . . 0.0 112.192 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.51 -23.74 62.71 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.68 80.11 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.382 -0.824 . . . . 0.0 111.914 169.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.6 -3.72 23.46 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -169.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.5 p -57.84 -16.67 12.42 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.925 2.195 . . . . 0.0 116.925 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -88.86 -13.54 39.0 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.589 -1.32 . . . . 0.0 114.402 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -75.12 -31.08 61.02 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.546 -1.346 . . . . 0.0 111.089 168.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.64 169.98 38.65 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.966 1.269 . . . . 0.0 113.023 168.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.07 145.64 56.04 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.252 1.021 . . . . 0.0 111.725 172.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.7 tp -99.91 145.64 10.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 125.252 1.421 . . . . 0.0 112.192 -169.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 tp -106.42 -42.92 4.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.246 1.418 . . . . 0.0 112.677 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.19 163.22 13.18 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.941 1.696 . . . . 0.0 111.644 172.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.46 148.59 39.75 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.695 -0.628 . . . . 0.0 110.955 161.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 44.1 tptt -104.83 138.18 41.48 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.497 2.319 . . . . 0.0 109.712 176.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.35 139.33 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.045 1.338 . . . . 0.0 109.277 165.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.252 10.8 tp -132.55 140.97 46.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-O 123.242 1.496 . . . . 0.0 114.932 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -157.1 163.66 38.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.958 2.903 . . . . 0.0 109.769 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.11 127.11 29.82 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.994 0.918 . . . . 0.0 111.432 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -68.46 -25.41 64.98 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -80.47 -47.3 14.52 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.0 p -122.33 -2.84 8.98 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -168.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.76 2.52 56.96 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 120.865 -1.147 . . . . 0.0 114.756 -175.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -52.57 115.99 2.06 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.412 1.485 . . . . 0.0 110.616 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.8 m -70.28 139.65 52.17 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.701 0.8 . . . . 0.0 111.419 -169.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -79.79 -39.63 30.44 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.294 -0.879 . . . . 0.0 109.747 164.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.09 19.12 47.89 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.534 1.064 . . . . 0.0 114.494 170.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -146.02 175.16 10.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.751 1.22 . . . . 0.0 111.064 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.82 -161.91 25.4 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.153 0.882 . . . . 0.0 112.348 168.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.452 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 60.7 m-85 -112.97 156.33 23.21 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.424 1.49 . . . . 0.0 111.261 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.0 p -141.91 144.08 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.809 1.243 . . . . 0.0 110.981 173.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -133.77 122.98 24.08 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.516 1.526 . . . . 0.0 110.62 -167.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -91.57 164.01 13.93 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.705 0.802 . . . . 0.0 110.786 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.9 p -93.15 -6.23 48.36 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -137.45 154.54 49.9 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.453 1.501 . . . . 0.0 112.99 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -77.93 -50.71 11.65 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.633 1.173 . . . . 0.0 113.683 -167.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.35 -36.2 77.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.59 0.756 . . . . 0.0 111.709 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.26 97.37 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.905 1.282 . . . . 0.0 112.206 175.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.29 -41.49 96.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.075 0.55 . . . . 0.0 112.245 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -75.98 -31.38 58.95 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.312 -0.868 . . . . 0.0 113.112 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -73.73 -29.66 62.37 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.9 0.773 . . . . 0.0 111.48 170.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.65 71.78 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.534 171.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.6 mm -59.36 -48.4 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.402 1.456 . . . . 0.0 111.352 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.56 -30.54 63.25 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.858 0.863 . . . . 0.0 112.834 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.66 -26.49 27.14 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.049 1.309 . . . . 0.0 115.55 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -45.92 61.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.98 1.89 . . . . 0.0 113.434 -168.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -58.38 109.91 0.87 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -159.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.63 75.32 Favored Glycine 0 CA--C 1.536 1.397 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -63.58 157.47 23.69 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 120.388 2.094 . . . . 0.0 111.756 169.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.43 105.27 15.33 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.708 1.203 . . . . 0.0 112.064 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -119.4 134.06 55.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.964 1.706 . . . . 0.0 109.393 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 54.02 20.6 2.52 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.798 1.181 . . . . 0.0 113.02 -164.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.49 3.99 50.13 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 119.694 -1.879 . . . . 0.0 115.052 -167.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -92.74 138.64 31.31 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.581 1.952 . . . . 0.0 109.741 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.7 m -81.59 127.29 32.71 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.716 -0.615 . . . . 0.0 111.415 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.3 tt -89.83 146.08 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -174.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.41 136.94 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.826 2.051 . . . . 0.0 108.932 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.4 m -132.14 148.03 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -171.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -161.71 158.86 26.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.103 1.361 . . . . 0.0 110.9 150.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.26 152.35 25.11 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 121.109 -0.994 . . . . 0.0 112.548 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.28 4.97 31.6 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -161.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -63.6 -28.35 69.86 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.252 1.387 . . . . 0.0 114.473 -165.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.4 m -86.62 -37.98 17.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.776 0.83 . . . . 0.0 113.107 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -65.22 -41.82 94.06 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.236 -0.915 . . . . 0.0 111.213 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.04 14.91 57.75 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.875 1.226 . . . . 0.0 115.929 175.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.3 147.94 52.59 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 118.737 1.269 . . . . 0.0 111.255 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.64 160.14 41.35 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 115.94 1.136 . . . . 0.0 115.94 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.417 0 C-N-CA 126.146 1.831 . . . . 0.0 112.717 177.577 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.542 0.21 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.15 116.16 15.08 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.835 0.854 . . . . 0.0 111.558 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -65.23 89.9 0.09 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.653 1.581 . . . . 0.0 110.657 168.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -74.06 -174.61 1.94 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.202 1.801 . . . . 0.0 112.564 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -16.42 31.01 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -171.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.46 -11.46 64.25 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 125.862 1.696 . . . . 0.0 115.7 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -111.25 166.1 11.38 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.55 1.54 . . . . 0.0 113.63 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -127.84 162.15 27.35 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.249 1.42 . . . . 0.0 113.034 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -97.43 77.57 2.63 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.093 -1.004 . . . . 0.0 110.63 -168.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -138.81 133.65 32.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.942 1.297 . . . . 0.0 112.627 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 p -148.54 155.71 41.48 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.755 1.222 . . . . 0.0 113.833 -170.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -82.9 144.89 29.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.771 2.428 . . . . 0.0 112.419 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.3 t -137.86 110.2 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.065 1.746 . . . . 0.0 109.3 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.82 119.33 5.57 Favored Glycine 0 N--CA 1.473 1.122 0 CA-C-O 118.833 -0.982 . . . . 0.0 112.023 170.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.87 -4.52 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.737 1.615 . . . . 0.0 114.357 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 mt -78.6 166.9 22.01 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.568 -1.332 . . . . 0.0 111.486 -168.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -133.67 172.77 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 126.65 1.98 . . . . 0.0 108.87 175.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -56.78 -21.35 27.97 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -167.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -109.42 -12.95 14.67 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.037 1.735 . . . . 0.0 113.096 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.18 145.63 44.05 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 120.6 1.546 . . . . 0.0 110.565 169.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -146.85 -173.92 4.35 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.0 -31.46 65.11 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -59.0 -34.38 71.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.132 0.878 . . . . 0.0 112.143 173.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.05 -48.81 14.52 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.124 1.345 . . . . 0.0 113.176 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.81 -35.54 80.29 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.264 1.032 . . . . 0.0 112.309 172.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.67 -39.05 83.22 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.02 -1.05 . . . . 0.0 111.47 172.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.67 48.36 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -41.32 75.89 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.564 -0.71 . . . . 0.0 111.107 168.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -103.73 -14.45 16.09 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 -168.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 m -60.48 -20.55 60.42 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.684 1.583 . . . . 0.0 113.819 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 p -72.02 -17.89 62.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -84.46 -34.2 23.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.696 1.199 . . . . 0.0 111.895 174.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.87 -177.1 48.37 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.389 0.995 . . . . 0.0 112.866 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -81.17 119.39 23.53 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.268 1.027 . . . . 0.0 111.129 -174.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.9 mm -77.63 136.3 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.396 1.078 . . . . 0.0 111.54 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 mp -97.12 -45.67 6.46 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.547 1.539 . . . . 0.0 111.155 169.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -146.1 149.45 34.07 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.229 1.012 . . . . 0.0 111.15 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.79 127.45 13.35 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.213 1.005 . . . . 0.0 108.581 168.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -107.46 139.62 41.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.652 1.581 . . . . 0.0 111.254 -174.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.53 143.04 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.234 1.414 . . . . 0.0 109.049 163.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.5 tp -128.74 132.09 67.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 167.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -157.09 162.56 39.46 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 128.316 2.646 . . . . 0.0 110.931 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -100.64 98.06 8.66 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.94 -1.1 . . . . 0.0 109.919 161.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -36.34 75.07 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.052 0.941 . . . . 0.0 112.382 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.77 -27.38 65.84 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -104.62 1.27 29.42 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.548 1.539 . . . . 0.0 113.226 172.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.7 13.33 58.77 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.126 1.346 . . . . 0.0 114.447 -176.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -83.71 116.42 22.66 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.873 2.069 . . . . 0.0 111.682 -167.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.0 p -69.44 146.83 51.68 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.144 0.497 . . . . 0.0 111.374 168.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -97.36 -33.05 11.57 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.554 -0.716 . . . . 0.0 110.095 152.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.27 22.0 59.64 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.795 0.712 . . . . 0.0 114.323 166.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -143.14 172.82 12.21 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.494 1.518 . . . . 0.0 111.111 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.55 -175.85 34.01 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 125.286 1.422 . . . . 0.0 113.139 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -112.25 157.13 21.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.991 1.316 . . . . 0.0 109.974 166.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -140.29 143.34 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 125.324 1.45 . . . . 0.0 109.879 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 p -140.46 151.6 44.99 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -123.79 161.97 24.16 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.163 1.385 . . . . 0.0 113.008 -170.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.9 t -78.44 -20.88 50.09 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.068 1.747 . . . . 0.0 113.181 174.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -134.81 150.94 50.57 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.523 1.529 . . . . 0.0 112.994 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -34.59 78.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.558 1.543 . . . . 0.0 113.177 169.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -53.38 -44.53 68.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.515 1.526 . . . . 0.0 112.586 176.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.25 -45.99 36.55 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.003 0.921 . . . . 0.0 111.473 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -59.08 -47.36 85.53 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.466 0.706 . . . . 0.0 112.198 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -78.13 -33.99 50.14 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.983 -0.532 . . . . 0.0 112.283 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.82 -29.28 64.26 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.289 1.404 . . . . 0.0 111.869 173.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.37 -54.73 15.33 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.666 -0.646 . . . . 0.0 110.737 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.92 -41.55 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.541 1.536 . . . . 0.0 112.624 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -56.24 -31.97 64.05 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.316 1.046 . . . . 0.0 112.407 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.45 -44.59 6.47 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.102 1.334 . . . . 0.0 113.891 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 27.0 mtt -56.07 -37.54 69.46 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.932 1.366 . . . . 0.0 112.695 -176.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -62.92 92.42 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.459 1.504 . . . . 0.0 111.276 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.31 18.09 22.62 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -84.44 165.19 18.36 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.956 1.878 . . . . 0.0 113.626 172.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -96.44 133.47 40.82 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 153.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.7 tp -146.76 131.64 18.08 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.472 1.109 . . . . 0.0 110.622 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 t0 45.68 35.18 2.03 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.928 1.291 . . . . 0.0 113.563 -162.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.71 11.4 83.22 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.045 0.831 . . . . 0.0 114.877 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -118.84 155.05 31.89 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.626 1.97 . . . . 0.0 110.366 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -79.58 106.9 11.95 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.68 -0.638 . . . . 0.0 110.624 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.0 tt -75.5 134.33 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.184 0.594 . . . . 0.0 111.368 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.8 t -133.35 140.09 47.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.106 1.762 . . . . 0.0 108.84 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.82 148.94 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -164.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -157.86 160.55 37.81 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.009 0.924 . . . . 0.0 111.799 158.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' CD ' ' HG ' ' A' ' 87' ' ' SER . 3.0 pp20? -60.72 151.39 29.5 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.927 -1.108 . . . . 0.0 113.699 169.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.3 -13.86 8.83 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.933 1.293 . . . . 0.0 113.103 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -57.87 -22.56 48.72 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.422 ' HG ' ' CD ' ' A' ' 84' ' ' GLU . 24.1 p -68.64 -25.99 65.11 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 173.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -89.31 -22.72 22.51 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.306 1.442 . . . . 0.0 112.704 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -78.45 -179.93 51.45 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.222 1.391 . . . . 0.0 115.846 -175.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -89.48 136.1 33.22 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.503 1.121 . . . . 0.0 111.044 175.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.8 174.79 54.03 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 115.764 1.066 . . . . 0.0 115.764 -174.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 116.857 -2.079 . . . . 0.0 116.564 -178.875 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.12 91.52 3.34 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.99 1.316 . . . . 0.0 109.129 169.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -91.55 83.55 5.39 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.479 1.912 . . . . 0.0 109.152 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.68 162.64 2.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.381 1.473 . . . . 0.0 112.449 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -53.84 -26.15 22.97 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -170.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.69 -23.11 77.48 Favored Glycine 0 CA--C 1.539 1.543 0 O-C-N 121.022 -1.049 . . . . 0.0 115.297 173.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.24 156.47 16.31 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.901 1.68 . . . . 0.0 111.318 172.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.73 158.23 44.62 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -177.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.22 79.13 9.65 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.175 0.988 . . . . 0.0 110.094 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -131.84 144.95 51.27 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.164 1.786 . . . . 0.0 111.594 -168.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 p -131.97 156.39 46.28 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.125 0.97 . . . . 0.0 112.201 171.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -89.28 142.27 27.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.4 1.88 . . . . 0.0 110.009 172.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.5 t -141.26 139.87 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.141 1.776 . . . . 0.0 109.299 -166.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.77 123.2 1.22 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 117.461 1.745 . . . . 0.0 117.461 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 p -150.04 -1.85 0.41 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 129.112 2.965 . . . . 0.0 112.508 166.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 mt -75.14 162.15 28.76 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.686 1.231 . . . . 0.0 112.015 -154.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -138.53 168.56 19.51 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 126.581 1.952 . . . . 0.0 108.828 -173.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -44.18 -33.6 1.58 Allowed 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -97.64 -14.94 20.66 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.996 1.318 . . . . 0.0 114.496 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.19 141.69 28.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.055 0.942 . . . . 0.0 109.797 176.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -140.9 -165.24 1.9 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.941 -0.474 . . . . 0.0 111.129 171.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.27 -38.8 13.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.527 1.131 . . . . 0.0 113.439 175.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -50.09 -38.78 40.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.696 1.199 . . . . 0.0 113.161 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.06 -46.0 38.23 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 118.883 0.765 . . . . 0.0 113.467 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.73 -29.36 64.45 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.042 0.921 . . . . 0.0 113.033 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.1 -52.09 66.38 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.422 1.489 . . . . 0.0 110.793 170.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.42 89.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.263 0.483 . . . . 0.0 111.893 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.21 -37.51 78.12 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -81.93 -19.47 40.7 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.3 t -57.7 -21.84 42.84 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -171.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 p -81.14 -18.75 45.32 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.857 1.263 . . . . 0.0 114.185 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -92.92 -27.2 17.22 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.424 1.889 . . . . 0.0 112.688 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.62 -176.03 45.32 Favored Glycine 0 CA--C 1.531 1.087 0 CA-C-N 120.095 1.316 . . . . 0.0 116.023 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -109.08 117.4 34.06 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.879 1.672 . . . . 0.0 110.836 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 mm -67.29 134.5 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.63 1.572 . . . . 0.0 113.59 -159.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.5 mt -100.58 -27.46 13.39 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 118.026 -0.988 . . . . 0.0 113.51 166.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -148.33 144.92 27.88 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.16 1.384 . . . . 0.0 110.979 176.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.73 108.41 4.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.991 1.316 . . . . 0.0 109.298 168.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -102.59 143.52 32.18 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.516 1.526 . . . . 0.0 109.998 178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -117.8 140.38 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 125.62 1.568 . . . . 0.0 106.922 160.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 tp -119.56 118.26 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 122.58 1.181 . . . . 0.0 111.854 167.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -159.45 142.83 14.48 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.704 2.002 . . . . 0.0 108.463 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -109.03 86.83 2.36 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.573 1.079 . . . . 0.0 109.308 157.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -72.77 -19.29 61.39 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -165.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -70.59 -22.61 62.54 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.564 1.074 . . . . 0.0 112.884 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.4 p -110.44 14.97 22.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.24 1.416 . . . . 0.0 112.288 170.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.6 17.62 62.62 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.948 1.261 . . . . 0.0 115.274 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -82.47 69.91 9.32 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.122 1.369 . . . . 0.0 111.677 -169.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.8 m -72.88 96.18 2.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.7 0.8 . . . . 0.0 110.638 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -66.82 -25.64 66.54 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 121.172 -0.955 . . . . 0.0 110.775 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.78 19.99 78.47 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.135 1.35 . . . . 0.0 114.842 163.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -134.83 168.52 18.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.328 1.851 . . . . 0.0 110.34 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.89 177.05 41.18 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 125.419 1.485 . . . . 0.0 113.235 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -111.07 147.84 33.93 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.685 1.194 . . . . 0.0 109.946 167.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.07 149.59 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.426 1.09 . . . . 0.0 110.181 167.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -147.57 154.07 40.23 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -122.34 177.55 5.33 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.915 1.686 . . . . 0.0 110.591 172.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 m -72.05 -15.93 62.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.522 1.129 . . . . 0.0 113.822 172.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -150.51 160.97 43.41 Favored 'General case' 0 CA--C 1.552 1.058 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -75.27 -35.21 61.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.096 1.359 . . . . 0.0 114.158 -172.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -62.31 -45.37 93.55 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.963 0.905 . . . . 0.0 112.006 -169.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.68 78.6 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.914 0.886 . . . . 0.0 112.662 173.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 90.9 mmm -58.62 -42.16 87.59 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.234 0.925 . . . . 0.0 112.141 173.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -76.67 -34.45 58.24 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -64.47 -33.9 76.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.954 0.902 . . . . 0.0 111.176 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.91 61.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.3 0.64 . . . . 0.0 111.585 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.4 -36.45 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.627 1.103 . . . . 0.0 112.08 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.5 -27.45 67.79 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 171.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.88 -8.64 50.97 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.692 1.615 . . . . 0.0 115.733 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.6 mmt -96.1 -41.45 8.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.679 1.991 . . . . 0.0 113.43 -175.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -62.56 108.87 1.22 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -161.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.97 5.92 70.17 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.3 1.429 . . . . 0.0 115.892 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -68.03 163.18 22.9 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.73 1.765 . . . . 0.0 113.95 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -103.9 109.4 21.14 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.135 1.374 . . . . 0.0 108.885 171.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 tp -142.41 131.8 23.63 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.127 1.371 . . . . 0.0 110.611 -165.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 t0 53.41 25.02 4.3 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -159.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.08 -3.63 75.55 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 126.121 1.82 . . . . 0.0 115.59 -170.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -114.53 154.71 27.77 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.842 1.657 . . . . 0.0 112.065 -168.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.8 p -73.9 128.8 36.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.879 0.872 . . . . 0.0 112.273 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.4 tt -112.29 139.82 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 -174.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 t -119.57 146.61 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 127.96 2.504 . . . . 0.0 110.457 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.9 m -137.81 141.43 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.891 1.676 . . . . 0.0 112.458 -178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -158.47 155.64 28.87 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.058 0.943 . . . . 0.0 113.308 163.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -60.88 142.68 56.06 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.399 1.48 . . . . 0.0 114.96 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.45 30.01 4.19 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 125.941 1.696 . . . . 0.0 114.295 -177.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -100.53 -12.77 19.02 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -172.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.0 m -72.19 -31.79 66.22 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -173.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -70.0 -10.98 60.49 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -169.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -84.86 -0.33 89.1 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.855 1.217 . . . . 0.0 115.214 176.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -123.99 144.24 49.93 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.598 1.559 . . . . 0.0 113.17 -173.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.88 137.19 5.53 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.683 1.135 . . . . 0.0 112.284 168.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.243 0 C-N-CA 125.69 1.614 . . . . 0.0 112.466 178.046 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 121.827 0.822 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -126.62 125.76 42.47 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.681 1.992 . . . . 0.0 109.942 -173.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -140.99 155.7 46.17 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.64 0.776 . . . . 0.0 112.665 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -84.83 145.96 27.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.649 1.98 . . . . 0.0 111.827 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.99 110.08 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.324 1.449 . . . . 0.0 108.69 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.21 134.82 11.93 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.335 0.969 . . . . 0.0 112.187 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.4 -31.57 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 126.954 2.102 . . . . 0.0 112.925 172.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.42 163.64 5.05 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.249 1.819 . . . . 0.0 113.802 -161.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.1 p -145.14 175.62 10.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.106 1.762 . . . . 0.0 111.183 -169.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.1 p90 -51.69 -14.79 0.38 Allowed 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 164.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -100.32 -30.61 11.77 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.128 1.371 . . . . 0.0 113.465 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.61 146.59 23.66 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 120.382 1.447 . . . . 0.0 113.926 -176.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -137.29 -178.3 5.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.221 1.009 . . . . 0.0 112.753 174.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.04 -33.08 64.62 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.874 0.87 . . . . 0.0 112.812 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.25 -38.86 81.1 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.06 0.944 . . . . 0.0 111.859 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.62 -35.93 62.41 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.643 1.116 . . . . 0.0 113.888 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pp -79.59 -35.18 40.04 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.693 1.246 . . . . 0.0 111.989 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -55.25 -45.5 76.05 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.268 -0.895 . . . . 0.0 110.678 170.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.68 -18.73 65.03 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.48 -24.29 24.17 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.307 1.043 . . . . 0.0 113.689 172.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -102.53 -21.22 14.23 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.675 1.59 . . . . 0.0 114.217 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 t -59.95 -23.61 63.7 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.961 1.304 . . . . 0.0 113.349 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 p -69.79 -12.59 61.75 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.656 1.982 . . . . 0.0 115.031 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -95.69 -38.85 10.18 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.156 0.982 . . . . 0.0 112.665 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.49 179.19 46.84 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 115.285 0.874 . . . . 0.0 115.285 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.21 115.68 11.73 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.688 1.595 . . . . 0.0 111.651 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.1 mm -78.08 139.84 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.784 1.234 . . . . 0.0 111.942 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 mt -92.42 -45.35 8.2 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.429 1.492 . . . . 0.0 111.686 168.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.55 159.36 44.15 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.901 0.858 . . . . 0.0 111.645 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.87 148.64 47.19 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.031 149.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -119.38 137.79 53.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.696 1.598 . . . . 0.0 108.934 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.74 132.67 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.025 1.33 . . . . 0.0 109.402 164.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.281 10.6 tp . . . . . 0 N--CA 1.472 0.65 0 CA-C-O 123.028 1.395 . . . . 0.0 113.52 -173.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 CA--C 1.538 0.509 0 CA-C-O 121.353 0.597 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -72.15 -28.63 63.37 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.817 0.847 . . . . 0.0 110.284 161.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.37 26.4 68.14 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.033 1.301 . . . . 0.0 113.839 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -150.79 -179.25 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 125.11 1.364 . . . . 0.0 110.396 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.61 -151.85 10.83 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 124.245 0.926 . . . . 0.0 110.893 161.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -114.13 156.9 23.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 p -128.91 142.97 42.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 126.841 2.056 . . . . 0.0 108.814 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.5 p -137.37 141.38 41.76 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -111.46 153.89 25.49 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.995 1.318 . . . . 0.0 112.722 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 m -75.21 -13.14 60.42 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.796 1.239 . . . . 0.0 113.748 170.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -139.19 150.68 45.85 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.442 1.897 . . . . 0.0 110.833 -172.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -82.4 -36.56 26.61 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -57.34 -42.51 82.09 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.313 1.045 . . . . 0.0 111.384 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.82 -43.84 97.71 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.105 0.962 . . . . 0.0 112.543 174.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 44.0 ttp -63.91 -44.7 92.16 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.903 -0.498 . . . . 0.0 111.663 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -77.75 -39.79 43.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 118.457 -0.782 . . . . 0.0 113.095 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -67.68 -29.37 68.63 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.037 0.835 . . . . 0.0 111.81 173.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.03 -62.43 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.439 0.563 . . . . 0.0 110.754 169.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.3 mt -52.71 -46.2 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.438 1.017 . . . . 0.0 112.806 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -65.86 -21.09 66.44 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.23 0.923 . . . . 0.0 113.388 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.21 -26.07 10.54 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.835 1.207 . . . . 0.0 115.741 173.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.6 mmt -76.64 -26.65 55.12 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.122 1.769 . . . . 0.0 114.733 -168.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -51.24 114.57 1.24 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.033 0.833 . . . . 0.0 111.664 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.89 6.97 87.89 Favored Glycine 0 CA--C 1.537 1.45 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -67.11 167.59 11.73 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.679 1.74 . . . . 0.0 112.361 173.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -118.28 117.4 29.0 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.84 0.856 . . . . 0.0 112.266 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -116.56 134.59 54.66 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.979 2.112 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.7 t0 44.7 32.93 0.85 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.757 1.623 . . . . 0.0 115.221 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.41 20.09 65.07 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.156 1.36 . . . . 0.0 115.721 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -132.25 144.63 50.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.931 2.092 . . . . 0.0 111.279 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 t -82.43 133.48 35.21 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.48 -0.762 . . . . 0.0 112.27 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 pt -98.44 163.4 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -169.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.8 t -133.96 141.89 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.666 1.587 . . . . 0.0 108.975 165.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 m -123.33 132.65 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.377 1.471 . . . . 0.0 112.549 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -154.78 164.01 39.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.219 -0.926 . . . . 0.0 112.084 160.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.59 152.03 27.3 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.968 -1.082 . . . . 0.0 112.998 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.844 0 C-N-CA 124.607 1.163 . . . . 0.0 113.387 -175.042 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 CA--C 1.547 0.854 0 CA-C-O 119.911 -0.09 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 ptm85 -133.64 144.71 49.39 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 p -135.56 158.43 44.4 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.664 1.585 . . . . 0.0 113.655 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -92.23 150.17 21.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.249 2.22 . . . . 0.0 111.794 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.7 120.44 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.837 1.655 . . . . 0.0 110.478 177.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.03 122.29 7.44 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.729 -1.039 . . . . 0.0 111.316 169.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -177.64 -33.21 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.851 1.26 . . . . 0.0 114.289 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.3 mt -56.3 151.62 12.49 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -164.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 p -130.53 179.41 5.95 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.023 2.129 . . . . 0.0 111.092 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.2 p90 -47.66 -25.67 1.26 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 164.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -88.7 -34.11 17.31 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.392 1.477 . . . . 0.0 113.287 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.19 153.29 21.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.712 1.205 . . . . 0.0 113.736 -169.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.08 -172.05 3.5 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.643 1.177 . . . . 0.0 112.183 165.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -52.44 -35.16 51.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.617 1.167 . . . . 0.0 112.791 172.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -69.23 -40.59 77.85 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.974 1.31 . . . . 0.0 113.993 -170.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.1 -28.71 72.62 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.436 0.562 . . . . 0.0 112.847 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.71 -38.24 47.75 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 117.725 0.762 . . . . 0.0 111.782 170.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.25 -43.48 70.96 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.617 1.098 . . . . 0.0 111.157 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.73 82.11 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.713 0.688 . . . . 0.0 112.843 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -30.17 70.24 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -88.84 -24.58 22.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.516 1.126 . . . . 0.0 113.587 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 m -60.85 -20.39 61.69 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.535 1.062 . . . . 0.0 113.833 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -60.43 -27.76 67.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.937 0.895 . . . . 0.0 113.382 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -91.68 -24.87 19.36 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.729 1.212 . . . . 0.0 113.412 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.16 -171.08 43.34 Favored Glycine 0 CA--C 1.533 1.157 0 N-CA-C 115.315 0.886 . . . . 0.0 115.315 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.95 116.21 15.43 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.219 1.408 . . . . 0.0 111.622 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 mm -77.99 135.27 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.453 1.101 . . . . 0.0 110.916 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.05 -35.03 12.1 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.777 1.231 . . . . 0.0 112.079 169.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -164.54 157.55 17.21 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.263 0.938 . . . . 0.0 111.107 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.74 148.05 36.62 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.26 0.552 . . . . 0.0 110.797 158.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -103.05 133.84 47.5 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.297 -0.877 . . . . 0.0 110.236 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.31 136.75 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 125.839 1.656 . . . . 0.0 108.535 166.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 50' ' ' ARG . 8.5 tp . . . . . 0 CA--C 1.543 0.709 0 CA-C-O 122.893 1.33 . . . . 0.0 112.861 168.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HB2' HG23 ' A' ' 41' ' ' ILE . 15.5 mmp_? -67.76 -31.37 71.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.19 0.596 . . . . 0.0 111.713 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.35 23.72 64.87 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 115.503 0.961 . . . . 0.0 115.503 162.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -139.89 167.83 21.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.496 1.519 . . . . 0.0 110.577 173.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.55 176.9 32.17 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.594 1.092 . . . . 0.0 113.346 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.66 158.2 23.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.499 1.12 . . . . 0.0 111.328 167.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.17 139.36 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.647 1.579 . . . . 0.0 109.226 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -126.84 136.67 52.66 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.027 1.331 . . . . 0.0 112.259 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -112.94 157.25 21.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.791 2.037 . . . . 0.0 111.936 -167.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 m -82.35 -27.42 32.18 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.173 0.989 . . . . 0.0 113.17 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -137.11 152.69 50.29 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.563 1.145 . . . . 0.0 113.475 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -68.2 -41.13 81.82 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.623 1.969 . . . . 0.0 113.947 -170.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -68.32 -37.86 80.99 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.991 -1.068 . . . . 0.0 112.649 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.83 92.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.307 0.643 . . . . 0.0 112.173 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 43.8 ttp -61.8 -43.47 98.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.977 0.911 . . . . 0.0 111.98 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -75.06 -49.48 19.6 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.476 0.71 . . . . 0.0 112.448 -173.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -71.85 -23.03 61.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.09 -61.88 1.98 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.219 167.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.09 -44.49 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 125.164 1.385 . . . . 0.0 112.015 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.78 -22.77 67.06 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.582 1.153 . . . . 0.0 113.608 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.44 -31.54 6.75 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.559 1.076 . . . . 0.0 114.656 169.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mmt -67.51 -28.35 67.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.975 1.71 . . . . 0.0 114.31 -172.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -56.18 104.73 0.15 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.737 0.815 . . . . 0.0 112.412 -173.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.82 8.02 77.08 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.737 1.455 . . . . 0.0 116.737 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -67.72 154.8 40.7 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.067 1.934 . . . . 0.0 112.83 174.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -85.74 120.04 26.73 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.094 0.957 . . . . 0.0 110.98 163.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -128.22 131.39 48.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.544 1.938 . . . . 0.0 109.27 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 56.3 20.56 4.71 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.418 1.487 . . . . 0.0 113.619 -169.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.54 6.07 86.45 Favored Glycine 0 CA--C 1.539 1.571 0 O-C-N 120.207 -1.558 . . . . 0.0 114.982 -170.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -108.34 150.56 27.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.912 2.085 . . . . 0.0 109.989 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.7 m -82.1 132.58 35.25 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.447 -0.783 . . . . 0.0 111.258 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.8 tt -101.94 148.76 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 121.726 0.774 . . . . 0.0 112.974 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.5 t -129.09 139.65 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.336 1.854 . . . . 0.0 108.162 173.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 m -133.49 130.78 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -168.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -154.38 158.71 40.46 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.845 1.258 . . . . 0.0 111.703 169.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.32 151.55 27.41 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.07 -1.019 . . . . 0.0 112.823 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.684 0 C-N-CA 125.289 1.436 . . . . 0.0 112.783 -176.641 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 122.614 1.197 . . . . 0.0 108.243 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -130.48 155.76 45.92 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.534 1.533 . . . . 0.0 112.508 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -148.53 157.03 43.2 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.475 1.11 . . . . 0.0 113.441 -175.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.6 147.61 43.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.596 1.559 . . . . 0.0 111.334 166.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.11 145.46 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.349 1.86 . . . . 0.0 109.53 164.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.12 124.91 1.9 Allowed Glycine 0 CA--C 1.528 0.867 0 O-C-N 121.999 -0.438 . . . . 0.0 113.053 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.9 p -176.56 -20.88 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.996 2.118 . . . . 0.0 113.547 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.49 161.97 18.96 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.066 1.346 . . . . 0.0 112.556 -166.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -114.82 176.55 5.0 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 126.771 2.029 . . . . 0.0 110.471 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -50.86 -25.71 4.87 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.161 0.984 . . . . 0.0 113.647 166.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -100.22 -29.35 12.51 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.63 149.09 45.91 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.873 1.67 . . . . 0.0 111.542 174.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -149.03 -178.29 6.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -58.46 -33.71 70.06 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.301 -0.875 . . . . 0.0 113.204 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -66.6 -32.05 73.14 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.71 -43.78 65.91 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.437 1.018 . . . . 0.0 112.582 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -57.89 -51.02 71.35 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 117.625 0.712 . . . . 0.0 111.483 168.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.43 -45.15 76.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.174 0.989 . . . . 0.0 112.007 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.12 -27.37 63.53 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -174.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.39 -47.31 34.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.121 0.568 . . . . 0.0 110.789 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -76.31 -20.57 57.17 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.9 t -62.34 -21.3 65.19 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.147 0.885 . . . . 0.0 113.033 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.8 m -71.46 -23.55 61.85 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.831 -1.168 . . . . 0.0 113.176 173.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -79.47 -43.73 22.68 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.447 -0.783 . . . . 0.0 111.266 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.92 -160.48 26.89 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 116.107 1.203 . . . . 0.0 116.107 176.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.89 132.71 53.01 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.52 1.128 . . . . 0.0 111.844 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 mm -109.0 138.8 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.227 1.811 . . . . 0.0 110.316 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -96.96 -31.13 12.7 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.081 1.352 . . . . 0.0 112.734 169.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -164.21 154.85 15.17 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.271 1.028 . . . . 0.0 111.378 -177.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.79 150.3 49.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.556 138.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -102.55 144.72 30.61 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.981 1.713 . . . . 0.0 110.282 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.95 141.35 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.655 1.182 . . . . 0.0 110.211 160.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.4 tp . . . . . 0 CA--C 1.544 0.715 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.875 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -81.61 -23.62 36.93 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.749 -1.219 . . . . 0.0 111.203 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.75 15.5 66.75 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.641 1.115 . . . . 0.0 115.347 163.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -127.41 168.72 14.46 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.247 2.219 . . . . 0.0 108.981 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.54 178.25 34.84 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.391 0.996 . . . . 0.0 113.514 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -116.36 158.08 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.563 1.145 . . . . 0.0 110.689 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.12 138.89 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.938 1.295 . . . . 0.0 108.913 168.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 t -131.34 133.85 45.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.635 1.174 . . . . 0.0 111.327 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -109.65 156.54 20.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.433 1.493 . . . . 0.0 111.667 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -85.15 -16.32 40.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -132.47 146.28 51.82 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.871 1.214 . . . . 0.0 112.308 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -77.64 -40.81 40.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.62 1.168 . . . . 0.0 113.58 -163.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -73.28 -35.52 66.17 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.027 -1.046 . . . . 0.0 112.019 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.51 97.9 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.582 1.153 . . . . 0.0 112.148 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -59.87 -45.16 93.36 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.692 0.797 . . . . 0.0 112.082 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -71.96 -35.62 69.61 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.48 -0.762 . . . . 0.0 112.126 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -67.38 -30.24 69.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.068 0.547 . . . . 0.0 112.067 174.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.47 43.82 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 118.598 -0.715 . . . . 0.0 110.737 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.9 mm -54.09 -39.3 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 120.154 1.343 . . . . 0.0 113.211 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.15 -26.03 61.94 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 120.605 -1.31 . . . . 0.0 113.954 172.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.32 -33.6 22.48 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.64 1.114 . . . . 0.0 114.727 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mtt -69.34 -41.74 76.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.471 1.908 . . . . 0.0 112.949 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -53.06 112.68 0.9 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.16 0.984 . . . . 0.0 111.957 -171.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.81 86.98 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.754 1.462 . . . . 0.0 116.754 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -69.24 146.28 52.46 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.12 1.96 . . . . 0.0 112.957 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -86.6 86.1 7.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.852 1.261 . . . . 0.0 108.943 169.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -95.82 127.85 42.2 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.066 0.946 . . . . 0.0 110.029 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.9 t70 55.09 23.2 5.05 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 122.218 1.008 . . . . 0.0 112.825 -160.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.26 -5.88 83.2 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.675 2.083 . . . . 0.0 115.54 -172.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -108.08 134.87 50.35 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.449 1.624 . . . . 0.0 111.852 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.6 m -64.24 118.75 9.08 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.732 0.813 . . . . 0.0 111.946 -176.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.0 tt -93.85 161.43 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.399 1.48 . . . . 0.0 112.395 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.6 t -136.64 146.21 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.81 1.644 . . . . 0.0 108.694 173.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.9 m -127.18 142.71 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.865 1.266 . . . . 0.0 113.659 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.19 160.4 38.68 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.776 1.231 . . . . 0.0 111.35 152.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 153.25 17.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.764 1.226 . . . . 0.0 113.685 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.843 0 C-N-CA 125.704 1.602 . . . . 0.0 113.187 -175.685 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.852 0.358 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -113.94 137.26 51.92 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.512 1.125 . . . . 0.0 111.727 -172.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.29 157.07 46.39 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.319 1.047 . . . . 0.0 112.768 175.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -76.36 151.12 36.73 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.784 2.034 . . . . 0.0 111.754 170.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.75 120.04 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.248 1.819 . . . . 0.0 110.361 170.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.14 124.19 5.92 Favored Glycine 0 N--CA 1.474 1.208 0 C-N-CA 124.434 1.016 . . . . 0.0 112.481 172.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 p -179.79 -24.21 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.961 1.704 . . . . 0.0 114.147 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.96 159.37 20.08 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.079 1.352 . . . . 0.0 113.252 -161.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.7 m -127.17 169.63 13.25 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 126.913 2.085 . . . . 0.0 109.792 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -54.02 -33.68 57.87 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -78.7 -31.36 46.5 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.559 1.143 . . . . 0.0 113.334 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.12 156.51 37.31 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.273 1.429 . . . . 0.0 112.265 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -148.78 -165.57 2.31 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.478 -0.763 . . . . 0.0 112.492 163.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -54.88 -31.44 59.86 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 121.619 -0.676 . . . . 0.0 112.496 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -52.97 -44.55 67.24 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.307 0.958 . . . . 0.0 112.395 -177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.44 -36.71 43.37 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.476 -176.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.29 -37.82 56.98 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.996 1.398 . . . . 0.0 111.655 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -57.95 -43.98 86.7 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.612 1.165 . . . . 0.0 110.588 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.18 82.2 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.28 74.0 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.588 -0.695 . . . . 0.0 111.621 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -73.88 -30.63 62.73 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.49 1.116 . . . . 0.0 113.097 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.8 t -60.16 -20.11 56.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.218 1.007 . . . . 0.0 113.418 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 m -80.18 -15.14 57.7 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -88.38 -26.28 22.26 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.661 1.184 . . . . 0.0 113.108 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.3 -173.86 46.19 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.632 1.11 . . . . 0.0 113.489 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.03 115.33 5.96 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.214 1.006 . . . . 0.0 111.392 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.7 tp -88.14 145.17 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 127.341 2.256 . . . . 0.0 111.871 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -113.24 -55.6 2.5 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.836 1.254 . . . . 0.0 113.042 -171.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -164.15 154.72 15.18 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.562 1.945 . . . . 0.0 110.43 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.08 147.36 40.16 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.814 0.846 . . . . 0.0 112.956 167.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 59.4 tptt -102.09 150.45 23.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.098 2.159 . . . . 0.0 110.389 177.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.55 145.67 34.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 126.019 1.727 . . . . 0.0 108.573 161.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.514 HG23 ' HB2' ' A' ' 50' ' ' ARG . 11.0 tp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 123.158 1.456 . . . . 0.0 114.816 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.514 ' HB2' HG23 ' A' ' 41' ' ' ILE . 19.7 mtp85 -90.78 -26.01 19.68 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.737 0.415 . . . . 0.0 111.376 168.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.29 19.62 58.48 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.12 1.343 . . . . 0.0 114.81 167.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -144.65 172.97 12.25 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.301 -1.117 . . . . 0.0 112.031 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.74 -177.22 31.62 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 125.518 1.532 . . . . 0.0 113.376 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.555 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 69.5 m-85 -115.76 161.42 18.76 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.104 1.362 . . . . 0.0 110.188 161.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -148.36 150.62 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.901 1.28 . . . . 0.0 110.888 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.8 t -143.03 153.42 42.94 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -171.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -126.11 167.04 15.93 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.721 2.008 . . . . 0.0 113.844 -171.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.3 p -78.54 -19.09 53.66 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -147.94 162.08 40.03 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.32 1.448 . . . . 0.0 113.643 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -63.95 -33.62 76.14 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.089 1.756 . . . . 0.0 113.05 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -66.94 -49.89 64.05 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.601 -0.687 . . . . 0.0 112.746 -168.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.78 74.66 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -64.45 -49.12 72.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.503 0.592 . . . . 0.0 111.336 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -71.76 -35.67 70.15 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.09 -1.006 . . . . 0.0 112.273 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.89 -31.43 72.36 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.94 0.896 . . . . 0.0 112.127 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.68 -59.44 2.95 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.31 171.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.9 mm -53.07 -37.87 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 120.128 1.331 . . . . 0.0 112.655 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.52 -44.85 77.04 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.8 1.24 . . . . 0.0 113.093 172.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.95 -23.56 29.78 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.401 1.0 . . . . 0.0 115.055 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.438 ' HB3' HG11 ' A' ' 82' ' ' VAL . 12.8 mmt -74.72 -32.25 62.08 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.814 1.307 . . . . 0.0 114.306 -166.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -55.69 109.29 0.54 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 120.377 1.444 . . . . 0.0 112.112 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.46 6.3 89.0 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.177 1.37 . . . . 0.0 116.259 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -64.66 139.64 58.78 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.731 2.266 . . . . 0.0 110.751 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -82.4 98.16 8.73 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 122.011 -0.431 . . . . 0.0 111.94 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.02 135.4 51.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.051 1.74 . . . . 0.0 109.837 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 t70 51.57 29.39 5.44 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.049 0.939 . . . . 0.0 113.398 -174.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.78 17.23 80.09 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.521 -1.362 . . . . 0.0 115.493 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -131.57 145.6 51.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.371 1.868 . . . . 0.0 111.712 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 81.0 p -70.18 127.08 31.58 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.671 -0.643 . . . . 0.0 111.251 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.9 tt -94.61 144.97 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.712 0.768 . . . . 0.0 112.98 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.61 133.67 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.705 1.602 . . . . 0.0 108.603 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 70' ' ' MET . 8.7 m -133.19 141.33 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -169.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -154.94 159.87 40.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.551 1.14 . . . . 0.0 110.838 164.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -59.62 146.34 41.33 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.162 -0.961 . . . . 0.0 110.831 169.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.596 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.9 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 N--CA 1.472 0.637 0 CA-C-O 123.046 1.403 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -140.35 153.62 46.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.851 2.06 . . . . 0.0 110.986 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.82 155.67 49.41 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.557 0.694 . . . . 0.0 112.028 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -74.41 149.87 40.25 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.477 1.111 . . . . 0.0 110.629 167.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -138.18 104.7 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.343 1.457 . . . . 0.0 108.468 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.21 120.44 6.17 Favored Glycine 0 N--CA 1.47 0.935 0 CA-C-O 119.376 -0.68 . . . . 0.0 111.843 173.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.5 p -177.47 -19.61 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.0 mt -76.79 166.15 23.75 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 122.767 1.27 . . . . 0.0 113.844 -163.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -147.01 173.62 12.28 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.637 2.375 . . . . 0.0 109.23 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -56.07 -24.93 42.99 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -170.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -90.12 -25.46 20.7 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.861 1.209 . . . . 0.0 113.996 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.46 155.27 34.02 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.632 1.106 . . . . 0.0 110.877 172.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.39 -167.97 2.97 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 121.463 -0.773 . . . . 0.0 112.672 167.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -51.99 -31.88 31.34 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -71.56 -29.56 64.87 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.042 -1.036 . . . . 0.0 112.386 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.33 -31.27 47.15 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-O 118.453 -1.193 . . . . 0.0 113.424 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.11 -40.76 44.67 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.336 1.068 . . . . 0.0 111.418 164.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.33 -48.19 81.35 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 120.154 1.343 . . . . 0.0 111.542 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.31 -39.36 89.25 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.097 0.862 . . . . 0.0 112.602 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -26.43 62.35 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.352 1.061 . . . . 0.0 113.67 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -88.63 -25.31 22.49 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.33 1.052 . . . . 0.0 112.887 175.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m -59.85 -19.52 51.61 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -72.11 -22.26 61.36 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.988 -1.07 . . . . 0.0 113.623 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -84.4 -31.6 24.59 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.593 0.757 . . . . 0.0 112.115 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.09 -169.47 41.3 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-O 122.328 0.96 . . . . 0.0 114.32 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -95.18 129.11 42.42 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 125.783 1.633 . . . . 0.0 110.871 -172.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.6 mm -101.09 137.23 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.326 1.45 . . . . 0.0 112.012 -165.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -110.64 -14.55 14.03 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.768 1.227 . . . . 0.0 112.916 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -152.12 144.09 23.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.329 0.968 . . . . 0.0 111.518 170.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.15 112.36 7.71 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.527 1.531 . . . . 0.0 107.282 161.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 43.6 tptt -103.13 141.79 35.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.163 1.385 . . . . 0.0 110.437 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.61 138.38 50.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 125.645 1.578 . . . . 0.0 109.968 168.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 tp . . . . . 0 CA--C 1.544 0.745 0 CA-C-O 122.229 1.014 . . . . 0.0 112.129 170.631 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.8 m . . . . . 0 C--O 1.236 0.393 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -67.29 -30.48 70.35 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.249 1.02 . . . . 0.0 111.711 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.23 29.02 51.91 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.038 0.828 . . . . 0.0 115.071 166.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -155.21 175.89 13.26 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.75 1.22 . . . . 0.0 111.84 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.6 -149.03 7.64 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.247 0.927 . . . . 0.0 112.936 162.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.524 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 18.0 m-85 -114.09 158.76 20.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.547 1.539 . . . . 0.0 111.891 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.79 138.98 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.485 1.114 . . . . 0.0 110.023 165.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 p -125.92 142.39 51.54 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.142 0.883 . . . . 0.0 113.015 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -103.78 168.89 8.85 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.719 1.208 . . . . 0.0 112.244 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m -88.77 -29.08 20.05 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.044 1.338 . . . . 0.0 112.42 167.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -138.53 151.04 46.98 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.158 1.383 . . . . 0.0 112.646 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -80.61 -29.74 36.81 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -72.25 -35.71 68.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.074 -1.016 . . . . 0.0 111.335 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.89 97.6 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.478 0.711 . . . . 0.0 111.461 169.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.0 ttp -58.85 -40.68 84.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.815 0.846 . . . . 0.0 112.117 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.24 -44.89 58.69 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.36 -0.837 . . . . 0.0 112.957 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.3 -31.99 73.41 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.945 -0.55 . . . . 0.0 111.425 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.96 -59.39 3.54 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.268 0.627 . . . . 0.0 111.411 171.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.6 mt -51.52 -42.53 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 125.126 1.37 . . . . 0.0 112.142 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.87 -39.05 68.26 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.904 0.881 . . . . 0.0 112.918 171.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.85 6.33 81.92 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 127.05 2.262 . . . . 0.0 115.77 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.0 mmt -113.22 -33.59 5.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.877 1.838 . . . . 0.0 113.156 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -56.15 105.27 0.18 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.657 0.783 . . . . 0.0 110.341 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.08 15.46 81.07 Favored Glycine 0 CA--C 1.534 1.257 0 N-CA-C 116.469 1.348 . . . . 0.0 116.469 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -72.99 175.17 6.88 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.127 1.964 . . . . 0.0 112.17 172.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.27 139.95 35.21 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.249 1.02 . . . . 0.0 110.664 154.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.63 135.9 33.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.766 1.626 . . . . 0.0 109.273 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.8 t0 50.15 25.3 1.7 Allowed 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -167.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.51 3.37 90.65 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.96 1.743 . . . . 0.0 115.721 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -112.01 146.83 37.2 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.924 1.69 . . . . 0.0 109.77 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.2 m -55.37 129.7 39.62 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.477 1.035 . . . . 0.0 111.327 170.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.2 tt -101.72 144.59 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.346 1.059 . . . . 0.0 111.659 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.1 t -128.99 140.38 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 126.412 1.885 . . . . 0.0 109.429 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.4 m -126.85 151.07 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.158 1.383 . . . . 0.0 112.605 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -156.23 158.32 37.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.663 1.185 . . . . 0.0 111.811 162.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -56.35 149.34 16.84 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.256 1.022 . . . . 0.0 111.844 170.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.904 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -172.828 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.595 0 CA-C-O 122.442 1.115 . . . . 0.0 109.689 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -142.59 145.92 34.04 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.842 2.057 . . . . 0.0 110.722 -176.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.7 p -143.98 150.73 38.74 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -73.54 141.73 46.69 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.659 1.184 . . . . 0.0 110.904 164.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.44 145.81 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.51 1.924 . . . . 0.0 111.425 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.29 124.63 1.3 Allowed Glycine 0 N--CA 1.468 0.772 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 170.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.8 p -162.24 24.18 0.11 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.435 2.294 . . . . 0.0 111.564 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.77 168.88 10.38 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.709 1.243 . . . . 0.0 111.875 -166.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -136.71 177.05 8.16 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.946 2.499 . . . . 0.0 109.09 173.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -50.76 -21.46 1.65 Allowed 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 169.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -93.48 -32.25 14.26 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.494 1.117 . . . . 0.0 113.843 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.03 153.08 29.05 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.223 0.92 . . . . 0.0 111.854 174.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.05 -160.73 1.21 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 169.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -49.14 -31.87 9.03 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.426 1.09 . . . . 0.0 113.906 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -35.46 80.6 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.407 1.003 . . . . 0.0 112.142 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.3 -39.11 62.45 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.044 0.83 . . . . 0.0 112.798 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.31 -39.75 85.93 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.508 0.723 . . . . 0.0 112.357 171.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.98 -45.32 93.07 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.959 0.904 . . . . 0.0 110.577 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.02 89.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.649 0.78 . . . . 0.0 112.668 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -33.07 72.93 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -175.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -103.34 -13.06 16.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 174.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -55.37 -22.21 18.64 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 m -83.1 -11.39 58.04 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.548 1.539 . . . . 0.0 114.747 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -93.76 -39.58 10.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.108 1.363 . . . . 0.0 112.278 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.27 -160.44 23.1 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 123.94 0.781 . . . . 0.0 112.384 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -90.39 133.71 34.82 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 122.047 -0.678 . . . . 0.0 112.376 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 mm -75.02 136.22 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 125.045 1.338 . . . . 0.0 110.43 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.9 mt -113.03 -16.16 12.7 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.255 167.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -153.73 148.34 26.27 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.933 1.697 . . . . 0.0 112.404 169.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.94 137.42 33.08 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.529 1.132 . . . . 0.0 109.909 157.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -125.94 141.52 51.93 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.397 2.279 . . . . 0.0 109.943 -176.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.9 139.0 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.125 1.37 . . . . 0.0 109.585 166.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 tt . . . . . 0 CA--C 1.544 0.745 0 CA-C-O 122.693 1.235 . . . . 0.0 112.366 166.725 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmp_? -70.8 -30.81 67.37 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.65 -0.656 . . . . 0.0 111.083 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.21 22.74 67.4 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 123.819 0.723 . . . . 0.0 113.517 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -135.97 172.57 12.81 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 127.115 2.166 . . . . 0.0 111.019 -168.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.29 -177.01 41.48 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 125.237 1.399 . . . . 0.0 113.72 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -113.48 154.85 26.36 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.562 1.145 . . . . 0.0 110.351 162.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.41 143.55 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.435 1.094 . . . . 0.0 109.555 170.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 p -129.07 143.98 51.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.23 1.014 . . . . 0.0 112.778 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.12 -172.65 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 127.015 2.126 . . . . 0.0 110.518 -170.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 p -123.98 -10.39 7.67 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -144.1 151.08 39.11 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.374 1.443 . . . . 0.0 114.361 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -70.4 -42.48 71.62 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.3 1.44 . . . . 0.0 113.46 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -71.53 -35.47 70.69 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.918 -1.114 . . . . 0.0 111.617 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.33 -44.74 94.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.405 1.082 . . . . 0.0 111.531 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.6 ttt -57.01 -40.39 76.53 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.193 0.597 . . . . 0.0 111.742 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -80.05 -29.87 39.31 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.877 1.217 . . . . 0.0 113.707 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -67.79 -34.51 76.91 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.271 0.941 . . . . 0.0 110.006 168.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.23 -58.23 3.46 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.4 mm -58.2 -37.38 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 120.217 1.371 . . . . 0.0 112.802 -174.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -72.57 -26.37 61.69 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.79 1.177 . . . . 0.0 113.67 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.8 -7.49 59.97 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.822 1.677 . . . . 0.0 115.685 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.1 mmt -91.96 -41.55 10.51 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.622 1.569 . . . . 0.0 112.562 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -65.88 113.48 4.4 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.628 -0.67 . . . . 0.0 111.529 -163.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.26 5.03 83.27 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 118.103 -1.387 . . . . 0.0 116.112 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -59.04 132.95 55.56 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.118 1.959 . . . . 0.0 110.129 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -75.04 108.48 7.8 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 167.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 tt -132.93 132.51 42.08 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.957 1.703 . . . . 0.0 111.197 -170.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.8 t70 51.43 20.31 0.97 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.231 1.413 . . . . 0.0 114.66 -172.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.82 11.84 61.33 Favored Glycine 0 CA--C 1.541 1.702 0 N-CA-C 116.42 1.328 . . . . 0.0 116.42 -174.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -134.67 162.12 33.22 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.234 1.814 . . . . 0.0 111.015 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 t -88.76 124.07 33.78 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.056 -1.027 . . . . 0.0 111.328 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.1 tt -88.46 153.72 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-O 121.777 0.799 . . . . 0.0 113.074 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.97 144.22 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.321 1.849 . . . . 0.0 108.248 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -132.33 139.12 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.075 0.95 . . . . 0.0 112.701 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -157.03 149.0 22.73 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.494 0.718 . . . . 0.0 112.931 161.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.49 153.82 15.22 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.204 1.801 . . . . 0.0 114.119 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.194 0 C-N-CA 125.503 1.521 . . . . 0.0 113.274 -178.26 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 121.73 0.776 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -142.13 136.72 30.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.471 1.909 . . . . 0.0 110.961 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.8 p -147.36 158.08 43.83 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.943 0.897 . . . . 0.0 113.226 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -95.86 149.42 21.55 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.295 2.238 . . . . 0.0 111.79 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.19 131.7 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.619 1.567 . . . . 0.0 112.251 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.02 135.52 12.7 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.678 1.132 . . . . 0.0 110.807 160.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p 170.22 -13.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 126.196 1.798 . . . . 0.0 114.735 171.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.42 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 10.1 mt -79.12 158.15 27.81 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.695 -1.253 . . . . 0.0 112.742 -163.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 m -140.54 175.67 9.41 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 128.614 2.766 . . . . 0.0 109.885 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -48.36 -30.47 4.98 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -100.29 -2.68 33.06 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.683 1.193 . . . . 0.0 113.904 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.34 154.88 18.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.057 0.943 . . . . 0.0 110.175 162.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -148.08 -172.12 3.99 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.917 0.887 . . . . 0.0 110.281 162.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -54.21 -44.81 71.97 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.971 1.309 . . . . 0.0 113.805 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -57.54 -43.6 84.54 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.44 -31.08 77.77 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 119.5 -0.611 . . . . 0.0 113.869 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.87 -38.81 52.93 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.026 0.913 . . . . 0.0 111.791 168.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.51 -41.82 86.31 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.757 1.162 . . . . 0.0 111.122 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.45 -41.12 96.71 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.851 0.861 . . . . 0.0 112.693 174.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.32 -24.37 63.0 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -88.14 -29.6 20.45 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.365 1.466 . . . . 0.0 113.956 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 m -61.5 -21.56 64.32 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.67 -0.643 . . . . 0.0 111.51 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 m -62.16 -18.87 62.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.919 1.687 . . . . 0.0 114.351 171.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.76 -35.09 11.09 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.857 -1.152 . . . . 0.0 113.922 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.8 -158.0 26.66 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 119.005 0.82 . . . . 0.0 114.625 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.83 130.94 37.29 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 122.266 1.031 . . . . 0.0 113.437 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.3 tt -118.95 139.24 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 126.213 1.805 . . . . 0.0 112.313 -170.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -106.2 -31.33 8.71 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.746 1.218 . . . . 0.0 113.219 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -168.44 155.78 7.82 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.535 1.134 . . . . 0.0 111.242 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.76 147.09 51.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.529 0.731 . . . . 0.0 109.286 152.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -107.03 138.49 43.09 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.499 1.52 . . . . 0.0 110.09 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.2 144.35 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.644 1.178 . . . . 0.0 110.248 162.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' HB2' ' A' ' 50' ' ' ARG . 9.1 tp . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 122.869 1.318 . . . . 0.0 113.371 166.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 CA--C 1.535 0.377 0 CA-C-O 120.834 0.349 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.552 ' HB2' HG23 ' A' ' 41' ' ' ILE . 9.6 mmm180 -75.33 -32.13 60.81 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.865 -1.147 . . . . 0.0 110.593 167.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.42 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 78.94 14.24 82.21 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.96 1.743 . . . . 0.0 115.483 165.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -132.43 171.78 13.31 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.657 1.583 . . . . 0.0 111.758 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.68 173.47 36.42 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.159 1.361 . . . . 0.0 113.026 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -115.75 159.78 20.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.41 0.684 . . . . 0.0 111.538 160.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 p -134.76 146.82 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.758 1.623 . . . . 0.0 110.364 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -137.3 142.92 41.89 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.152 0.981 . . . . 0.0 112.957 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -122.44 159.75 26.96 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.73 1.612 . . . . 0.0 112.992 -169.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.9 m -70.77 -24.63 62.63 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 171.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -137.28 151.65 48.91 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.99 1.316 . . . . 0.0 112.239 -168.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -72.81 -44.72 61.14 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.763 1.225 . . . . 0.0 111.645 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -65.07 -32.03 73.53 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.873 -0.585 . . . . 0.0 111.909 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.95 83.56 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.538 0.735 . . . . 0.0 111.546 173.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.0 ttp -61.25 -44.71 96.8 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.367 0.531 . . . . 0.0 111.742 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -72.23 -37.57 69.15 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.624 -0.672 . . . . 0.0 112.277 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.2 -27.33 61.56 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.711 0.805 . . . . 0.0 111.952 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.73 -57.3 7.4 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.022 0.529 . . . . 0.0 111.031 169.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.0 mt -51.3 -45.33 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.833 1.253 . . . . 0.0 111.671 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -61.5 -30.56 70.7 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.847 0.859 . . . . 0.0 113.128 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.18 -15.0 63.25 Favored Glycine 0 CA--C 1.539 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 115.307 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.3 mmt -95.65 -31.56 13.2 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -166.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -61.16 100.0 0.11 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.681 1.128 . . . . 0.0 111.602 -172.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.83 5.14 66.68 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-O 117.439 -1.756 . . . . 0.0 116.652 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -59.95 139.18 57.58 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 120.631 2.215 . . . . 0.0 111.126 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -80.19 125.38 29.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 110.242 166.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 tp -146.26 137.6 24.6 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 125.09 1.356 . . . . 0.0 110.599 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.3 t0 48.63 24.4 0.78 Allowed 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -172.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.88 16.83 80.43 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 126.181 1.848 . . . . 0.0 116.39 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -124.22 160.51 27.75 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.171 1.788 . . . . 0.0 111.235 174.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.7 m -94.55 126.77 40.04 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.083 0.553 . . . . 0.0 111.01 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.4 mt -75.63 146.56 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.435 1.094 . . . . 0.0 112.201 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.7 t -127.1 135.68 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.354 1.462 . . . . 0.0 109.161 163.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.84 139.07 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.805 1.642 . . . . 0.0 112.836 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -151.74 152.54 32.86 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 164.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 142.46 56.96 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.788 1.235 . . . . 0.0 113.444 176.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -179.121 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 123.884 1.802 . . . . 0.0 109.772 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -143.2 142.13 31.33 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 129.862 3.265 . . . . 0.0 107.071 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.84 153.31 47.57 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.929 0.786 . . . . 0.0 111.885 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -88.3 146.53 25.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.965 1.706 . . . . 0.0 109.76 168.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 t -135.15 103.59 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.298 1.439 . . . . 0.0 109.12 -166.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.98 118.22 6.11 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 172.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 p -175.85 -34.18 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.0 mt -66.6 167.04 11.65 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 123.419 1.58 . . . . 0.0 113.602 -162.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -148.21 175.16 11.28 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.293 1.837 . . . . 0.0 110.293 -171.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -46.7 -33.58 4.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.321 1.849 . . . . 0.0 114.527 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -98.11 -15.49 19.94 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.13 147.25 23.2 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 119.994 1.27 . . . . 0.0 112.772 -178.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -146.24 -174.37 4.43 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -50.31 -49.78 52.69 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.947 1.699 . . . . 0.0 113.463 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -26.79 65.0 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.58 -45.8 10.55 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.81 1.195 . . . . 0.0 113.656 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.17 -38.23 81.84 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.094 1.447 . . . . 0.0 110.85 172.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.54 -47.1 66.94 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.86 0.864 . . . . 0.0 111.658 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.77 87.91 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.409 1.004 . . . . 0.0 113.586 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.0 -41.05 62.48 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.431 0.692 . . . . 0.0 112.089 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -70.08 -29.3 66.25 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.851 -1.155 . . . . 0.0 112.433 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.0 t -64.71 -20.07 66.12 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.43 1.092 . . . . 0.0 112.953 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -69.47 -13.64 62.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.486 1.114 . . . . 0.0 113.85 172.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -98.76 -42.39 7.23 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.583 1.153 . . . . 0.0 112.192 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.74 -174.48 38.7 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 115.143 0.817 . . . . 0.0 115.143 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.54 129.82 37.01 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.211 1.804 . . . . 0.0 112.345 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mm -105.27 144.31 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.598 1.559 . . . . 0.0 112.985 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.1 mt -102.65 -46.12 4.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.749 1.62 . . . . 0.0 113.034 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -154.6 152.91 30.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.329 1.052 . . . . 0.0 112.146 -169.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.46 142.65 37.37 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.023 1.329 . . . . 0.0 111.031 160.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -107.62 148.07 29.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.896 2.078 . . . . 0.0 109.156 171.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.46 144.81 31.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 125.077 1.351 . . . . 0.0 108.47 162.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' ' 50' ' ' ARG . 5.4 tp . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 122.611 1.196 . . . . 0.0 112.071 172.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 121.704 0.764 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HB2' HG23 ' A' ' 41' ' ' ILE . 5.4 mmp_? -72.73 -24.37 60.97 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.986 -1.071 . . . . 0.0 112.719 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.54 33.11 61.23 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 118.465 0.575 . . . . 0.0 114.534 165.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -150.82 172.65 15.29 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.367 1.467 . . . . 0.0 111.2 173.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.4 -179.61 37.93 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.556 1.074 . . . . 0.0 113.761 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.02 160.56 18.0 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.594 1.158 . . . . 0.0 110.767 164.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.55 142.21 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.078 1.751 . . . . 0.0 109.932 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.1 t -135.2 138.66 43.84 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.325 0.966 . . . . 0.0 113.365 -172.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -115.36 162.34 17.26 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.966 1.707 . . . . 0.0 112.781 -175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.5 p -94.24 -6.1 45.38 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -139.66 151.27 45.81 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.545 1.066 . . . . 0.0 113.173 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.21 -41.44 90.15 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.221 1.808 . . . . 0.0 113.12 -173.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -78.78 -22.43 46.38 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.002 0.921 . . . . 0.0 112.754 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.13 -46.72 66.93 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.55 -1.344 . . . . 0.0 110.891 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.9 tpt -48.8 -52.31 24.69 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.25 1.82 . . . . 0.0 112.849 169.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -84.09 -26.96 28.56 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -73.01 -26.87 61.48 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.895 -1.128 . . . . 0.0 111.722 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.42 -60.31 2.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.564 0.745 . . . . 0.0 111.504 168.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.9 mt -46.84 -48.23 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.159 1.384 . . . . 0.0 112.903 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.95 -21.74 64.17 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.37 -38.42 21.55 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.251 -0.905 . . . . 0.0 113.216 165.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 22.5 mmt -73.96 -31.96 63.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.388 1.875 . . . . 0.0 114.244 -174.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -58.03 104.5 0.2 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.725 0.81 . . . . 0.0 110.713 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.92 19.41 75.29 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 115.856 1.103 . . . . 0.0 115.856 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -78.26 -170.57 2.05 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.167 1.484 . . . . 0.0 112.965 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -129.86 110.48 11.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.953 1.701 . . . . 0.0 110.472 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mp -125.28 141.34 52.14 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.204 1.802 . . . . 0.0 109.552 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 52.63 25.4 3.68 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.646 1.179 . . . . 0.0 113.628 -172.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.2 12.3 72.02 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 120.74 -1.225 . . . . 0.0 114.574 -173.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -112.67 161.88 16.35 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 127.336 2.254 . . . . 0.0 109.755 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -67.94 148.9 50.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.703 0.401 . . . . 0.0 111.588 163.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.5 tt -129.42 147.31 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.793 1.237 . . . . 0.0 111.744 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.6 t -130.75 141.57 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.989 2.116 . . . . 0.0 108.313 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 m -124.52 150.37 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.113 1.365 . . . . 0.0 112.041 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -143.75 157.81 44.13 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.492 0.663 . . . . 0.0 111.049 154.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -59.38 142.03 53.18 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.642 0.777 . . . . 0.0 111.881 164.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.457 0 O-C-N 121.284 -0.885 . . . . 0.0 113.082 -173.113 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.0 ttp-105 -143.41 138.0 29.04 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.159 1.384 . . . . 0.0 112.888 -175.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -139.54 154.25 47.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.811 1.244 . . . . 0.0 113.486 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -77.13 145.62 37.66 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.902 2.081 . . . . 0.0 111.733 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.45 109.14 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.597 1.559 . . . . 0.0 111.474 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.21 117.37 5.5 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 166.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.94 2.12 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.906 1.282 . . . . 0.0 114.332 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.6 mt -99.49 165.96 11.39 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.867 -1.146 . . . . 0.0 111.642 -170.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.3 p -125.97 -179.97 4.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 127.468 2.307 . . . . 0.0 109.217 166.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.6 p-90 -57.72 -15.41 7.85 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 167.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -93.63 -35.32 12.92 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.66 156.58 39.21 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.765 0.711 . . . . 0.0 110.75 174.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -147.46 -170.26 3.52 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 166.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.08 -24.28 64.47 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -73.22 -22.01 60.53 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.127 -0.983 . . . . 0.0 113.383 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.02 73.09 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-N 118.825 0.739 . . . . 0.0 112.214 168.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.96 -44.34 73.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.152 0.981 . . . . 0.0 112.559 168.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -56.39 -38.4 71.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.001 0.92 . . . . 0.0 111.438 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -51.05 26.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.327 0.651 . . . . 0.0 112.66 171.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.76 -31.01 66.08 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -98.0 -14.3 20.63 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.729 1.212 . . . . 0.0 113.929 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 m -63.36 -19.93 65.08 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -59.26 -33.79 71.47 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.645 1.178 . . . . 0.0 113.407 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -89.13 -29.44 19.35 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.24 -172.56 39.54 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 116.449 1.34 . . . . 0.0 116.449 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -72.57 126.11 29.09 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.543 1.137 . . . . 0.0 109.173 170.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.6 tp -109.58 146.0 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.461 1.104 . . . . 0.0 110.972 -166.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -109.52 -54.71 2.52 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.823 0.849 . . . . 0.0 111.569 -170.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.7 167.11 31.0 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.31 151.74 35.9 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.028 155.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.88 148.01 24.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.98 2.112 . . . . 0.0 109.551 173.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.6 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.65 1.18 . . . . 0.0 110.192 168.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 50' ' ' ARG . 9.9 tp . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 123.95 0.9 . . . . 0.0 112.967 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.164 0.507 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.497 ' HB2' HG23 ' A' ' 41' ' ' ILE . 9.2 mmm180 -70.17 -34.78 73.4 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.27 -0.894 . . . . 0.0 111.368 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.65 23.74 73.9 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.092 0.797 . . . . 0.0 115.092 169.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -136.51 171.34 14.63 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.714 1.606 . . . . 0.0 111.577 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.31 -178.64 28.07 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 124.769 1.176 . . . . 0.0 113.12 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -112.45 154.65 25.52 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.122 0.969 . . . . 0.0 109.191 159.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.9 p -135.26 145.8 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.104 1.362 . . . . 0.0 110.116 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -138.64 142.46 39.06 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.284 1.033 . . . . 0.0 113.597 -170.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -114.28 168.64 9.66 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.291 2.237 . . . . 0.0 112.059 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.6 p -99.15 -10.15 22.87 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 172.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -140.44 158.73 43.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.305 1.442 . . . . 0.0 114.193 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -71.67 -39.95 69.93 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.624 1.57 . . . . 0.0 112.157 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.15 -34.94 74.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.182 0.993 . . . . 0.0 112.565 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.47 -48.59 11.67 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.908 0.883 . . . . 0.0 111.944 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.8 tpt -46.33 -55.96 6.52 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.969 1.708 . . . . 0.0 112.711 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -84.74 -28.4 26.29 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.88 -31.18 64.52 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.866 -0.521 . . . . 0.0 111.647 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.62 -56.14 15.79 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.38 0.536 . . . . 0.0 110.662 170.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.8 mt -52.03 -49.49 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.237 1.015 . . . . 0.0 112.182 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -65.4 -18.28 65.19 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.43 -12.15 45.8 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.267 1.413 . . . . 0.0 115.058 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.7 mmt -86.92 -42.97 12.76 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.166 1.483 . . . . 0.0 114.539 -167.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -62.78 106.49 0.81 Allowed 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 118.938 0.79 . . . . 0.0 112.712 -161.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.88 -6.58 54.5 Favored Glycine 0 CA--C 1.539 1.584 0 N-CA-C 117.317 1.687 . . . . 0.0 117.317 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -63.53 155.54 29.11 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 120.708 2.254 . . . . 0.0 111.898 173.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -84.96 112.28 20.45 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.499 0.666 . . . . 0.0 111.941 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.26 126.52 45.27 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.445 1.498 . . . . 0.0 109.212 176.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.2 t70 48.86 32.73 3.9 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.528 1.931 . . . . 0.0 114.325 -162.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.4 70.2 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.63 1.109 . . . . 0.0 115.615 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -105.58 149.2 26.49 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.306 1.842 . . . . 0.0 110.426 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.9 m -78.99 112.16 15.91 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tt -72.44 154.24 7.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 122.044 0.926 . . . . 0.0 112.312 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.1 t -126.14 130.52 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 125.267 1.427 . . . . 0.0 107.84 168.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 m -117.09 137.89 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.437 1.095 . . . . 0.0 111.916 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -153.89 153.79 32.71 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.906 0.882 . . . . 0.0 111.841 158.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.07 142.77 53.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.417 1.087 . . . . 0.0 113.867 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 124.737 1.215 . . . . 0.0 114.214 -175.501 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 CA-C-O 122.267 1.032 . . . . 0.0 112.097 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -144.02 154.23 43.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.294 1.438 . . . . 0.0 111.35 165.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.4 p -126.02 152.71 45.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.55 0.69 . . . . 0.0 112.377 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -81.31 145.16 31.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.541 1.936 . . . . 0.0 110.168 170.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.79 145.67 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 126.433 1.893 . . . . 0.0 109.807 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.97 140.66 8.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 121.951 -0.468 . . . . 0.0 113.475 167.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.04 -16.1 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.354 2.662 . . . . 0.0 112.931 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 3.1 mt -74.96 166.72 23.2 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 122.475 1.131 . . . . 0.0 113.265 -158.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -144.69 179.43 7.31 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 128.849 2.859 . . . . 0.0 107.959 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.1 p90 -53.36 -15.11 0.89 Allowed 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -85.47 -38.53 18.51 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.578 1.151 . . . . 0.0 113.446 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.94 142.4 27.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.866 1.266 . . . . 0.0 112.91 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -148.07 -168.38 3.06 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -59.1 -20.13 50.74 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -56.05 26.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.351 1.06 . . . . 0.0 110.598 168.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.0 -41.89 94.99 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.482 1.039 . . . . 0.0 112.828 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.92 -45.16 94.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.487 1.144 . . . . 0.0 112.458 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.71 -47.67 83.78 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.694 -0.629 . . . . 0.0 111.488 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.02 72.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.035 0.534 . . . . 0.0 111.928 -175.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -28.54 68.96 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.347 -0.846 . . . . 0.0 113.259 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -90.44 -23.57 20.97 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 m -54.81 -26.43 34.8 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -57.07 -36.06 70.11 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.148 0.979 . . . . 0.0 113.071 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -88.9 -26.1 21.76 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.135 1.374 . . . . 0.0 112.912 -173.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.75 163.4 29.44 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 125.441 1.496 . . . . 0.0 110.761 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -68.93 133.04 47.66 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.226 1.013 . . . . 0.0 111.584 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 mm -93.6 133.24 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.093 1.357 . . . . 0.0 111.425 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.99 -26.9 14.86 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.479 1.112 . . . . 0.0 112.753 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -161.57 154.9 21.2 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.328 1.051 . . . . 0.0 111.264 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.05 150.72 35.63 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.042 1.337 . . . . 0.0 109.964 164.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -124.47 132.07 53.49 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.809 1.644 . . . . 0.0 111.406 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -102.33 140.63 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.751 1.22 . . . . 0.0 108.519 160.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.257 10.2 tp . . . . . 0 C--O 1.241 0.615 0 CA-C-O 123.757 1.741 . . . . 0.0 112.83 168.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -68.46 -41.79 79.7 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 119.513 1.052 . . . . 0.0 109.407 163.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.449 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 85.28 14.81 67.98 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.531 1.063 . . . . 0.0 114.435 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -118.13 169.71 9.46 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.555 1.942 . . . . 0.0 110.029 174.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.85 177.88 41.39 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.44 1.019 . . . . 0.0 113.791 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -114.27 158.21 21.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.715 1.206 . . . . 0.0 111.094 166.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.5 p -143.49 136.53 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.461 1.104 . . . . 0.0 110.733 167.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -121.83 129.05 52.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.296 1.438 . . . . 0.0 113.195 -166.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -93.1 -179.87 5.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.909 1.284 . . . . 0.0 113.486 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -105.51 -11.9 16.2 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.1 2.16 . . . . 0.0 114.488 173.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -152.46 159.38 43.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.823 1.649 . . . . 0.0 112.552 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.57 -43.97 79.35 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.097 1.359 . . . . 0.0 112.596 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -74.37 -33.19 63.01 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.143 0.977 . . . . 0.0 112.516 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.17 76.46 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.887 0.767 . . . . 0.0 112.033 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.11 -45.31 91.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.604 0.762 . . . . 0.0 111.765 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -73.94 -43.09 59.43 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.802 -0.561 . . . . 0.0 112.51 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -60.58 -36.06 77.61 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.261 1.025 . . . . 0.0 111.627 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.53 -57.63 4.56 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.063 0.545 . . . . 0.0 111.748 173.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.3 mt -51.08 -44.37 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.827 1.251 . . . . 0.0 111.96 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -69.24 -19.64 63.94 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.899 -1.125 . . . . 0.0 113.651 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.9 -3.04 58.2 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 126.903 2.192 . . . . 0.0 115.491 172.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.4 mmt -103.41 -28.22 11.94 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.191 1.797 . . . . 0.0 113.5 -174.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -54.75 97.61 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.101 1.36 . . . . 0.0 114.102 -168.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.44 8.42 66.06 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -65.42 157.23 29.94 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.023 1.911 . . . . 0.0 113.296 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -90.92 112.02 23.7 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.79 0.836 . . . . 0.0 110.415 169.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.65 133.51 52.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.861 1.264 . . . . 0.0 107.979 165.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.5 t0 50.57 28.65 3.56 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -172.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.74 3.93 90.33 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.754 1.645 . . . . 0.0 115.363 -174.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -115.72 127.07 54.86 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.396 1.879 . . . . 0.0 111.029 -170.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.6 m -78.42 110.23 13.3 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.838 0.855 . . . . 0.0 112.987 -170.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.7 pt -80.89 159.23 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.541 1.536 . . . . 0.0 114.403 -168.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.34 135.39 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.077 1.351 . . . . 0.0 108.749 166.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -120.54 130.52 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.905 2.082 . . . . 0.0 112.515 -174.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -156.34 156.58 34.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.587 1.155 . . . . 0.0 112.48 169.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -59.11 153.2 18.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 176.196 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 123.864 1.793 . . . . 0.0 108.569 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -145.99 133.88 21.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 129.671 3.189 . . . . 0.0 106.905 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -131.28 151.06 51.86 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.939 0.79 . . . . 0.0 113.101 -172.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -71.74 141.67 49.77 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.479 1.512 . . . . 0.0 109.856 165.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -132.42 99.16 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.305 1.442 . . . . 0.0 108.898 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.48 135.41 12.86 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.182 0.896 . . . . 0.0 111.199 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p 169.18 -35.43 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 126.744 2.018 . . . . 0.0 112.163 170.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.06 170.18 2.32 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 124.354 2.026 . . . . 0.0 114.355 -157.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.5 m -155.83 174.57 15.13 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.538 1.935 . . . . 0.0 108.414 -176.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -54.4 -25.96 27.65 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.748 1.158 . . . . 0.0 113.96 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -85.82 -21.64 28.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.222 2.209 . . . . 0.0 113.84 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.46 152.7 18.92 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.109 1.364 . . . . 0.0 112.356 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -148.82 -170.86 3.73 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 166.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.15 -28.48 64.75 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -176.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -65.55 -38.97 91.12 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.116 0.871 . . . . 0.0 112.025 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.22 -44.25 76.56 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.537 1.065 . . . . 0.0 112.962 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -69.15 -39.82 78.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 117.945 0.873 . . . . 0.0 112.006 172.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.32 -45.26 76.34 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.742 1.155 . . . . 0.0 110.897 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.87 -31.21 72.33 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.1 -36.51 61.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.294 0.638 . . . . 0.0 112.269 174.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -83.11 -24.12 32.76 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.6 t -59.77 -23.09 62.98 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.8 p -76.5 -11.3 59.85 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.864 -1.148 . . . . 0.0 113.506 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -95.67 -24.57 16.49 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.807 1.243 . . . . 0.0 112.81 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.88 -177.03 47.08 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.628 1.011 . . . . 0.0 115.628 175.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -74.48 116.05 14.72 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.958 0.903 . . . . 0.0 110.795 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.5 mm -81.22 143.77 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.647 1.179 . . . . 0.0 112.229 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.45 -44.52 6.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.963 1.305 . . . . 0.0 111.941 169.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -146.28 149.47 33.93 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -173.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.53 128.18 21.6 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.919 1.287 . . . . 0.0 109.137 159.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -105.65 153.37 21.91 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.989 1.716 . . . . 0.0 109.72 173.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.07 141.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 125.335 1.454 . . . . 0.0 109.532 167.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 123.847 0.859 . . . . 0.0 112.832 169.463 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -81.76 -32.12 31.61 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.337 -0.852 . . . . 0.0 111.153 163.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.02 37.51 93.22 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.275 0.941 . . . . 0.0 114.186 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -150.21 176.0 11.26 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.977 1.311 . . . . 0.0 111.666 172.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.6 -173.89 30.8 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.527 1.537 . . . . 0.0 112.236 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -116.34 159.91 21.25 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.295 0.638 . . . . 0.0 112.443 161.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.08 145.1 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.627 1.571 . . . . 0.0 109.883 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 136.33 47.04 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 119.483 1.038 . . . . 0.0 112.519 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -103.08 158.05 16.57 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.549 1.539 . . . . 0.0 112.794 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m -75.95 -27.6 57.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.666 1.186 . . . . 0.0 112.859 170.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -136.89 151.78 49.47 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.89 -51.47 26.01 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.479 1.512 . . . . 0.0 113.621 -168.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -70.68 -26.17 63.31 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.287 -0.883 . . . . 0.0 112.399 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.61 74.15 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.827 1.651 . . . . 0.0 111.843 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.8 tpt -58.39 -41.75 85.56 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.442 0.697 . . . . 0.0 111.487 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -70.56 -43.74 68.87 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.464 0.705 . . . . 0.0 111.846 -178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.07 -28.68 69.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.973 0.509 . . . . 0.0 111.914 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.92 -53.85 16.04 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.547 0.739 . . . . 0.0 111.815 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.5 mt -50.52 -46.96 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.531 1.132 . . . . 0.0 110.984 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.56 -18.4 40.5 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.129 1.372 . . . . 0.0 114.099 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.01 0.94 27.07 Favored Glycine 0 CA--C 1.542 1.748 0 C-N-CA 126.186 1.85 . . . . 0.0 115.844 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mmt -101.69 -33.94 9.67 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.308 1.554 . . . . 0.0 114.781 -170.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -53.5 113.54 1.2 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.481 0.713 . . . . 0.0 110.974 -173.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.97 6.24 89.08 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 117.722 -1.599 . . . . 0.0 116.772 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -58.82 143.89 45.95 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 120.135 1.967 . . . . 0.0 111.119 172.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -86.64 126.81 34.78 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.777 0.717 . . . . 0.0 111.562 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.43 135.68 27.01 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.556 1.942 . . . . 0.0 109.135 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t70 52.94 21.26 1.94 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -175.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.0 5.49 86.02 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.012 1.292 . . . . 0.0 115.344 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -120.36 163.33 18.02 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.724 2.41 . . . . 0.0 110.661 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.4 p -98.64 134.81 41.04 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.798 1.239 . . . . 0.0 112.342 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.5 mt -80.42 141.46 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.045 0.938 . . . . 0.0 112.315 -177.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.5 t -123.76 132.72 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.988 1.715 . . . . 0.0 109.342 165.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.01 137.54 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.015 1.326 . . . . 0.0 113.246 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -158.11 158.62 35.05 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.522 1.129 . . . . 0.0 111.248 162.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.4 150.81 25.36 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.416 0.686 . . . . 0.0 112.265 172.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -165.397 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.741 0.305 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -143.59 156.57 44.62 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 177.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.7 p -142.59 156.7 45.12 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.15 1.38 . . . . 0.0 112.632 -174.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -100.2 139.92 35.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.07 2.148 . . . . 0.0 110.791 174.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 m -135.4 139.28 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.68 1.592 . . . . 0.0 111.951 -173.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.27 124.92 6.23 Favored Glycine 0 N--CA 1.471 1.022 0 CA-C-O 118.846 -0.975 . . . . 0.0 110.902 167.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -171.42 -33.4 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.338 1.455 . . . . 0.0 113.873 -178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 24.8 mt -64.37 156.58 28.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.506 1.522 . . . . 0.0 112.848 -165.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.7 p -122.31 177.2 5.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.705 2.002 . . . . 0.0 109.88 172.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.4 p90 -51.5 -26.71 8.83 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 171.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -102.9 -8.97 20.27 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.58 150.15 26.11 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.154 1.343 . . . . 0.0 110.902 168.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -142.8 -168.29 2.73 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 165.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -55.16 -33.44 62.94 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.283 -0.886 . . . . 0.0 112.631 -176.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -55.85 -40.43 72.85 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.927 1.291 . . . . 0.0 112.197 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.82 -31.1 56.69 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.598 1.094 . . . . 0.0 113.791 -176.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.6 mt -68.46 -55.0 13.32 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 117.94 0.87 . . . . 0.0 109.672 165.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.03 -45.53 64.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.386 1.874 . . . . 0.0 111.802 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.91 -24.02 59.63 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.57 -34.96 27.57 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.066 0.947 . . . . 0.0 112.442 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -84.37 -28.11 27.2 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.694 1.198 . . . . 0.0 113.703 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -59.59 -22.49 61.86 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.26 0.937 . . . . 0.0 112.981 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 m -68.8 -18.55 64.2 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.163 -0.961 . . . . 0.0 113.316 175.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -84.33 -40.52 17.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.127 -0.983 . . . . 0.0 111.926 174.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.86 -170.68 42.01 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.758 0.694 . . . . 0.0 113.794 174.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -61.97 116.47 4.92 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.805 0.842 . . . . 0.0 112.53 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.7 mm -86.13 136.8 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.489 1.116 . . . . 0.0 110.278 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -91.78 -45.22 8.53 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.885 0.874 . . . . 0.0 111.63 173.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.52 155.94 25.08 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.35 149.74 44.53 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.399 0.68 . . . . 0.0 110.642 163.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -104.91 137.28 42.91 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.174 1.39 . . . . 0.0 109.476 171.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.67 144.2 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 124.532 1.133 . . . . 0.0 109.273 158.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.285 10.6 tp . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -97.63 -39.26 9.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.088 0.955 . . . . 0.0 110.109 162.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 87.78 16.26 60.14 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.882 1.23 . . . . 0.0 115.034 169.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -134.9 166.92 21.88 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.001 1.32 . . . . 0.0 111.713 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.9 175.07 38.45 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.727 1.156 . . . . 0.0 113.217 -175.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.88 154.21 27.89 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.56 1.144 . . . . 0.0 110.191 168.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.2 t -139.57 131.85 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.266 1.426 . . . . 0.0 110.494 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.5 m -121.1 132.28 54.77 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.227 1.811 . . . . 0.0 113.035 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -108.95 159.58 16.7 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.06 2.144 . . . . 0.0 112.0 -176.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -84.37 -27.12 27.9 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -143.43 155.88 44.51 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.519 1.527 . . . . 0.0 111.127 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -72.61 -45.88 56.93 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -166.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -66.49 -26.03 66.98 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.0 -1.062 . . . . 0.0 112.983 -170.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.52 72.15 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.847 1.259 . . . . 0.0 112.618 170.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.7 ttp -60.83 -39.49 89.25 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.679 0.672 . . . . 0.0 111.147 172.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -69.84 -44.8 69.16 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.41 0.684 . . . . 0.0 112.208 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.33 -32.24 73.79 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.432 0.693 . . . . 0.0 111.482 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.85 -60.05 3.77 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.656 171.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.47 -39.63 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 O-C-N 120.797 -1.19 . . . . 0.0 112.79 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.3 -28.38 69.69 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.257 1.023 . . . . 0.0 112.929 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.32 -43.22 5.33 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.183 -0.948 . . . . 0.0 114.292 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.4 mmt -69.06 -28.0 66.14 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.078 1.751 . . . . 0.0 115.616 -161.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -55.75 92.23 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.831 1.252 . . . . 0.0 113.974 -171.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.77 8.11 58.4 Favored Glycine 0 CA--C 1.541 1.705 0 C-N-CA 126.418 1.961 . . . . 0.0 116.522 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -73.31 155.94 38.94 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.711 1.756 . . . . 0.0 114.946 -172.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -80.74 101.89 9.59 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.623 1.569 . . . . 0.0 110.919 164.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 tp -129.65 129.5 44.38 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.245 1.418 . . . . 0.0 110.92 -172.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.23 27.9 3.82 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.38 12.71 84.02 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.784 1.183 . . . . 0.0 114.842 -176.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -120.91 155.3 34.49 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.256 2.223 . . . . 0.0 112.035 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.7 p -78.7 111.38 14.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.217 0.607 . . . . 0.0 110.94 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.7 tt -98.1 140.11 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 122.171 0.986 . . . . 0.0 113.625 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 78.0 t -119.58 141.88 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.73 2.012 . . . . 0.0 108.318 172.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.53 141.77 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.934 1.294 . . . . 0.0 113.176 -176.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -152.43 157.14 40.78 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.758 0.823 . . . . 0.0 111.41 155.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.06 153.17 18.4 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.374 1.07 . . . . 0.0 112.915 172.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.916 0 C-N-CA 125.365 1.466 . . . . 0.0 113.276 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 CA--C 1.542 0.659 0 CA-C-O 121.356 0.598 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.2 ttp-105 -136.94 140.71 42.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.403 1.481 . . . . 0.0 111.607 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -142.33 155.99 45.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.526 1.13 . . . . 0.0 113.879 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -81.95 149.69 28.07 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.654 2.781 . . . . 0.0 112.657 176.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.57 132.47 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.375 1.87 . . . . 0.0 112.28 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.29 121.1 2.9 Favored Glycine 0 CA--C 1.54 1.651 0 N-CA-C 115.365 0.906 . . . . 0.0 115.365 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.67 -21.09 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 127.748 2.419 . . . . 0.0 113.918 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 17.4 mt -75.58 163.39 27.4 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.982 1.313 . . . . 0.0 114.248 -148.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -106.04 171.08 7.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.291 1.836 . . . . 0.0 111.41 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -54.27 -14.29 1.12 Allowed 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.55 -1.343 . . . . 0.0 114.281 163.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -115.21 -20.46 10.38 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.37 138.53 38.58 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 120.69 1.586 . . . . 0.0 110.007 174.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -147.94 -170.01 3.47 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.38 -21.22 3.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.352 2.261 . . . . 0.0 115.287 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -81.91 -37.08 27.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.537 1.135 . . . . 0.0 113.599 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.8 -39.57 39.12 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.514 1.054 . . . . 0.0 112.272 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 mt -54.52 -51.39 65.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.563 0.745 . . . . 0.0 111.765 165.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.52 -42.03 70.39 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.667 0.787 . . . . 0.0 112.526 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.33 -43.17 82.24 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.292 0.951 . . . . 0.0 113.117 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.36 81.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.69 0.796 . . . . 0.0 112.092 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -74.38 -24.39 59.13 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.385 -0.822 . . . . 0.0 112.629 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.6 m -61.88 -18.01 58.63 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.225 -0.922 . . . . 0.0 113.3 173.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 t -57.83 -21.35 41.9 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.81 -1.181 . . . . 0.0 113.467 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.12 -33.67 10.69 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.69 -164.9 32.33 Favored Glycine 0 N--CA 1.475 1.238 0 CA-C-N 119.229 0.922 . . . . 0.0 113.121 -174.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -92.56 145.14 24.67 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.597 1.199 . . . . 0.0 112.963 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.4 mm -96.67 141.06 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.837 1.655 . . . . 0.0 111.969 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.3 mt -95.26 -42.71 8.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.964 1.306 . . . . 0.0 111.709 168.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -169.92 159.27 7.72 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.94 152.05 39.6 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.415 1.486 . . . . 0.0 112.063 173.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 60.4 tptt -118.83 145.11 45.92 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.241 1.816 . . . . 0.0 110.953 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.1 145.72 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.426 1.491 . . . . 0.0 108.988 161.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 123.02 1.39 . . . . 0.0 112.133 163.103 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -79.15 -28.28 42.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.603 0.761 . . . . 0.0 112.441 -174.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 76.57 23.17 70.93 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.797 0.713 . . . . 0.0 114.876 171.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -141.51 172.38 12.76 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.563 1.145 . . . . 0.0 112.168 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.64 -177.54 41.39 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.547 1.07 . . . . 0.0 113.631 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.424 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 94.4 m-85 -116.1 158.95 22.41 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.142 1.377 . . . . 0.0 111.569 169.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -145.66 141.87 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.698 1.599 . . . . 0.0 110.641 172.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -133.57 137.57 45.58 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.534 1.534 . . . . 0.0 112.941 -167.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -114.38 153.8 29.2 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.254 1.821 . . . . 0.0 113.988 -172.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.8 p -74.85 -10.41 59.47 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -143.99 156.28 44.34 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.356 1.863 . . . . 0.0 113.034 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -76.65 -43.06 39.69 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.836 1.254 . . . . 0.0 113.323 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -69.88 -36.27 75.32 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.494 -0.754 . . . . 0.0 111.883 -172.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.21 86.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.809 0.843 . . . . 0.0 112.677 168.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 47.7 ttp -62.93 -43.04 99.87 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.643 0.656 . . . . 0.0 111.764 175.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -72.37 -42.22 65.51 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.538 -0.727 . . . . 0.0 112.108 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.59 -34.96 76.52 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.367 0.667 . . . . 0.0 111.724 172.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.69 -58.49 6.72 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.623 0.647 . . . . 0.0 110.781 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.4 mm -50.63 -41.79 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.656 1.183 . . . . 0.0 112.736 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.28 -15.59 63.34 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -114.1 -16.48 7.81 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.833 1.206 . . . . 0.0 115.555 170.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.522 ' HB3' HG11 ' A' ' 82' ' ' VAL . 11.8 mmt -77.39 -26.2 51.58 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -171.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -58.26 100.75 0.07 Allowed 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 120.481 1.491 . . . . 0.0 110.833 174.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.32 7.19 70.03 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.745 1.64 . . . . 0.0 117.061 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -70.74 141.23 51.5 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 120.949 2.374 . . . . 0.0 112.594 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.33 97.04 9.74 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -173.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mp -110.97 125.57 53.84 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.999 1.32 . . . . 0.0 111.301 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t0 48.57 36.54 7.69 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.268 1.427 . . . . 0.0 113.373 -170.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.98 0.53 89.01 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.027 1.775 . . . . 0.0 115.17 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -118.86 124.66 47.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.958 1.703 . . . . 0.0 111.816 -171.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.6 m -66.76 113.94 5.25 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.262 1.425 . . . . 0.0 110.871 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.0 tt -84.52 159.94 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.184 0.993 . . . . 0.0 113.547 -167.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -123.36 138.63 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.34 1.856 . . . . 0.0 108.22 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.522 HG11 ' HB3' ' A' ' 70' ' ' MET . 4.8 m -138.35 142.47 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -170.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -153.74 161.28 42.24 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.595 1.158 . . . . 0.0 111.186 161.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.94 153.79 20.36 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.852 -1.155 . . . . 0.0 113.392 174.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.932 0 C-N-CA 125.748 1.619 . . . . 0.0 112.947 -179.496 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.821 0 CA-C-O 121.932 0.872 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.2 ttm105 -146.94 149.41 33.15 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.315 1.846 . . . . 0.0 111.825 -177.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.91 155.89 49.17 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.507 0.723 . . . . 0.0 112.907 170.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -76.35 149.86 36.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.54 1.936 . . . . 0.0 111.931 165.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.16 129.9 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.41 1.884 . . . . 0.0 110.488 172.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.36 122.32 5.01 Favored Glycine 0 N--CA 1.476 1.343 0 C-N-CA 123.695 0.664 . . . . 0.0 112.929 172.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 p -176.91 -24.46 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.185 1.794 . . . . 0.0 115.17 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 19.3 mt -66.33 167.41 10.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.503 1.521 . . . . 0.0 114.088 -161.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -143.67 177.6 8.39 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.589 1.556 . . . . 0.0 112.078 -163.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -50.65 -22.07 1.87 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 167.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -113.75 -19.76 11.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.601 1.561 . . . . 0.0 114.667 -173.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.17 153.76 20.27 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.596 1.158 . . . . 0.0 112.434 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.89 -173.42 3.98 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.141 0.976 . . . . 0.0 112.797 168.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -46.0 -35.74 5.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.861 1.264 . . . . 0.0 113.274 162.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -59.75 -31.52 69.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.614 1.165 . . . . 0.0 114.115 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.69 -32.14 28.05 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.46 1.029 . . . . 0.0 113.425 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.43 -42.9 87.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.829 0.851 . . . . 0.0 111.003 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -54.06 -49.99 67.75 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.925 1.69 . . . . 0.0 111.74 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.19 90.15 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.723 -0.611 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.85 69.11 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -101.11 -20.65 15.25 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -174.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 m -57.13 -17.76 12.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 -167.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.8 p -84.63 -12.57 53.72 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 120.331 1.423 . . . . 0.0 114.751 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -86.72 -48.24 8.43 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.055 1.342 . . . . 0.0 110.134 169.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.39 150.99 20.33 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.353 0.977 . . . . 0.0 113.429 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -75.57 127.76 33.79 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.859 0.863 . . . . 0.0 111.103 173.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 mm -59.69 134.07 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -164.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tt -87.03 -44.85 11.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.515 1.526 . . . . 0.0 110.036 168.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -161.04 148.91 15.63 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.856 1.262 . . . . 0.0 110.031 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.52 139.55 35.09 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.482 0.658 . . . . 0.0 111.651 159.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 11.8 tppt? -100.96 140.0 35.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.503 1.521 . . . . 0.0 108.632 176.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.71 134.6 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 124.044 0.938 . . . . 0.0 109.913 169.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.459 HG23 ' HB2' ' A' ' 50' ' ' ARG . 6.0 tp . . . . . 0 CA--C 1.545 0.769 0 CA-C-O 122.6 1.19 . . . . 0.0 112.192 174.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 121.039 0.447 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.459 ' HB2' HG23 ' A' ' 41' ' ' ILE . 4.0 mmp_? -69.34 -25.68 64.32 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.261 1.025 . . . . 0.0 112.122 177.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 84.72 17.64 63.28 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 115.42 0.928 . . . . 0.0 115.42 163.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -140.32 168.61 19.39 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.231 -1.158 . . . . 0.0 112.294 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.36 -177.87 37.38 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.639 1.114 . . . . 0.0 114.22 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.414 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 34.9 m-85 -113.38 155.19 25.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.923 1.289 . . . . 0.0 110.901 165.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.65 144.5 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.29 1.436 . . . . 0.0 109.561 168.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.8 t -142.2 147.5 36.65 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.059 1.343 . . . . 0.0 113.188 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -130.69 154.91 47.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.56 1.944 . . . . 0.0 110.901 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 p -64.92 0.23 1.28 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -136.92 147.03 46.15 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.841 1.2 . . . . 0.0 112.427 171.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -78.02 -38.85 43.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.214 1.406 . . . . 0.0 112.4 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -58.74 -50.74 72.81 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.014 0.926 . . . . 0.0 112.088 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -32.27 72.03 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.7 tpt -61.6 -41.55 97.59 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.727 0.694 . . . . 0.0 110.961 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -78.22 -33.52 49.83 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.883 0.873 . . . . 0.0 112.809 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.86 -33.63 70.67 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.894 0.878 . . . . 0.0 111.964 170.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.37 -49.65 21.81 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.778 0.831 . . . . 0.0 112.366 173.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 71.4 mt -50.2 -41.16 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 125.204 1.402 . . . . 0.0 111.833 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -57.64 -43.06 84.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.652 0.781 . . . . 0.0 112.747 177.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.43 -37.95 39.8 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 121.777 -0.577 . . . . 0.0 113.948 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.1 mmt -62.98 -32.61 74.0 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.215 1.406 . . . . 0.0 113.782 -175.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -46.62 99.82 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.555 1.542 . . . . 0.0 112.736 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.67 20.41 79.62 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-O 118.177 -1.346 . . . . 0.0 115.942 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -81.38 156.82 25.25 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.856 1.828 . . . . 0.0 113.12 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.38 120.13 21.96 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.424 -0.798 . . . . 0.0 110.586 161.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.13 129.12 33.38 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.723 2.009 . . . . 0.0 109.256 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.3 t70 52.88 23.42 2.81 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.378 -0.826 . . . . 0.0 112.584 -163.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.91 -13.67 23.75 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 126.413 1.959 . . . . 0.0 115.685 -169.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -88.14 148.35 24.47 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.025 2.13 . . . . 0.0 110.869 -174.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.7 m -80.93 109.72 15.78 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.694 -0.629 . . . . 0.0 110.652 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.9 tt -90.0 152.9 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.048 0.939 . . . . 0.0 112.658 -173.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.0 t -131.43 139.98 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.838 1.655 . . . . 0.0 108.345 171.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.54 142.55 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.525 1.53 . . . . 0.0 112.496 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -149.95 152.98 35.84 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.365 0.603 . . . . 0.0 112.352 162.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.88 147.95 41.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.825 1.25 . . . . 0.0 113.359 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -172.482 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 121.834 0.826 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.61 155.09 42.21 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 170.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.2 p -132.23 151.18 51.94 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.865 1.266 . . . . 0.0 112.099 176.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -77.49 143.54 38.4 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.024 1.33 . . . . 0.0 110.016 165.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 t -141.35 140.36 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.036 1.734 . . . . 0.0 109.328 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.61 127.18 1.92 Allowed Glycine 0 N--CA 1.472 1.083 0 O-C-N 120.645 -1.284 . . . . 0.0 114.661 168.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -166.44 3.48 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.997 2.119 . . . . 0.0 113.27 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 6.5 mt -96.95 166.47 11.59 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 123.437 1.589 . . . . 0.0 112.899 -154.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -148.54 179.37 7.86 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.833 1.653 . . . . 0.0 110.359 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -46.02 -27.07 0.84 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 163.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.85 -40.52 22.34 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 120.038 1.29 . . . . 0.0 113.319 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.94 151.1 21.87 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.106 0.963 . . . . 0.0 112.776 -174.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -150.04 -169.8 3.47 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.2 -0.938 . . . . 0.0 113.055 169.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -52.38 -34.11 46.36 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.626 1.103 . . . . 0.0 113.319 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -61.56 -30.32 70.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.829 0.852 . . . . 0.0 112.367 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.32 -37.45 36.49 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 125.051 1.31 . . . . 0.0 113.575 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.452 HD21 HD21 ' A' ' 16' ' ' LEU . 2.7 mm? -71.02 -45.39 63.99 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.474 1.137 . . . . 0.0 111.231 171.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.94 -35.69 64.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.923 1.289 . . . . 0.0 111.304 176.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.12 -36.95 39.8 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.35 -26.08 59.92 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -95.67 -23.28 17.08 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.57 1.148 . . . . 0.0 113.595 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 p -65.06 -16.16 63.15 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 p -68.48 -16.77 64.01 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.808 -1.183 . . . . 0.0 114.069 169.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -96.6 -26.71 15.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.754 1.221 . . . . 0.0 114.101 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.05 -167.35 39.44 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 114.916 0.726 . . . . 0.0 114.916 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -94.98 118.78 32.39 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.281 1.433 . . . . 0.0 111.06 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.2 mm -70.74 144.39 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.712 1.205 . . . . 0.0 112.598 -171.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -99.76 -49.4 4.38 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.409 1.484 . . . . 0.0 111.179 168.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -155.02 152.37 29.56 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.574 1.15 . . . . 0.0 111.567 -175.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.58 119.56 9.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.39 1.476 . . . . 0.0 108.655 166.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.91 142.1 31.84 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.291 1.436 . . . . 0.0 109.517 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.52 139.41 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 125.303 1.441 . . . . 0.0 109.578 166.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.514 HG23 ' HB2' ' A' ' 50' ' ' ARG . 19.9 tt . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.514 ' HB2' HG23 ' A' ' 41' ' ' ILE . 18.2 mtp180 -70.37 -33.8 71.86 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.227 0.921 . . . . 0.0 111.244 -177.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.459 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 91.7 14.94 56.01 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.783 1.182 . . . . 0.0 114.602 172.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -128.43 167.95 16.3 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.671 1.988 . . . . 0.0 111.388 -174.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.46 165.66 37.45 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.16 1.362 . . . . 0.0 113.144 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -113.91 133.43 55.46 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.073 0.949 . . . . 0.0 109.134 167.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.4 t -127.23 140.1 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.348 1.059 . . . . 0.0 110.555 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.6 t -140.03 149.07 42.73 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.318 1.447 . . . . 0.0 112.479 -172.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.43 150.91 30.16 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.083 1.753 . . . . 0.0 110.766 -161.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.1 m -80.89 -7.83 59.58 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -162.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -142.43 154.4 44.55 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.178 1.354 . . . . 0.0 113.57 -174.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -73.0 -42.95 62.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.981 0.912 . . . . 0.0 113.318 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -63.44 -34.69 78.3 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.273 -0.892 . . . . 0.0 111.376 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.92 -47.87 78.83 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.665 0.786 . . . . 0.0 111.903 172.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.4 -45.94 84.0 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.606 0.762 . . . . 0.0 111.604 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -80.61 -35.56 33.91 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -169.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -72.86 -31.55 64.82 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.87 0.759 . . . . 0.0 111.327 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.04 -57.72 7.12 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.292 0.497 . . . . 0.0 110.865 171.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.4 mm -52.86 -40.15 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.205 1.002 . . . . 0.0 112.225 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -63.37 -23.89 67.61 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 173.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.39 -12.12 34.18 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.038 1.304 . . . . 0.0 115.966 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.9 mmt -95.31 -35.79 11.65 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.428 1.614 . . . . 0.0 114.956 -168.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -64.88 109.79 2.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.665 1.12 . . . . 0.0 110.97 -172.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.46 19.62 71.0 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 118.303 -1.276 . . . . 0.0 115.405 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -65.7 -172.85 0.13 Allowed 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.802 1.801 . . . . 0.0 111.436 169.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -114.02 140.88 48.08 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.117 -0.989 . . . . 0.0 109.871 154.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.66 135.4 26.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.716 0.807 . . . . 0.0 110.795 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.8 t70 48.36 26.46 1.12 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.617 1.167 . . . . 0.0 113.854 -169.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.34 13.99 79.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 126.091 1.805 . . . . 0.0 115.762 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -124.17 164.11 20.16 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.171 2.189 . . . . 0.0 110.886 -170.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.5 p -82.86 121.48 26.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.357 0.663 . . . . 0.0 111.735 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.9 tt -104.55 147.97 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.209 1.004 . . . . 0.0 113.157 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.9 t -126.25 144.95 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.814 2.046 . . . . 0.0 109.344 170.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.0 m -136.56 146.93 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.148 1.379 . . . . 0.0 112.184 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -155.83 162.07 40.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.492 0.717 . . . . 0.0 112.153 152.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -59.73 152.19 23.34 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.106 -0.996 . . . . 0.0 113.2 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.01 0 C-N-CA 126.135 1.774 . . . . 0.0 112.241 -179.424 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 . . . . . 0 CA--C 1.553 1.093 0 CA-C-O 121.461 0.648 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -144.9 145.25 31.49 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.313 2.245 . . . . 0.0 111.87 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.26 159.56 41.86 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.514 1.126 . . . . 0.0 113.579 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -79.33 150.73 31.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.202 1.801 . . . . 0.0 111.862 170.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.6 m -138.08 115.78 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.645 1.578 . . . . 0.0 110.844 170.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.94 123.2 7.37 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.211 0.91 . . . . 0.0 111.694 172.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 176.22 -27.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.544 1.537 . . . . 0.0 114.6 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.69 165.99 18.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 122.334 1.064 . . . . 0.0 113.455 -156.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.9 p -151.48 177.57 10.17 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.922 1.289 . . . . 0.0 111.005 -167.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -50.04 -20.57 0.99 Allowed 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 162.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -102.97 -36.07 8.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.132 1.773 . . . . 0.0 114.22 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.58 147.15 24.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.181 0.992 . . . . 0.0 111.517 -174.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.79 -174.55 4.65 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.0 -35.05 77.38 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.507 -0.746 . . . . 0.0 112.923 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -61.79 -46.6 88.83 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.362 1.065 . . . . 0.0 112.881 -176.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.89 -40.93 84.28 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 118.303 0.501 . . . . 0.0 113.065 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.27 -42.33 75.68 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.48 0.712 . . . . 0.0 112.218 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -57.19 -41.75 79.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.549 1.14 . . . . 0.0 111.693 173.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.41 78.49 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.27 72.47 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -72.49 -33.31 66.86 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.079 -1.013 . . . . 0.0 111.401 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -57.89 -20.9 40.36 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 174.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -66.77 -25.37 66.45 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 173.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -87.99 -36.08 17.25 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.214 0.915 . . . . 0.0 113.232 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.67 -161.19 29.04 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 123.797 0.713 . . . . 0.0 113.292 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.18 129.07 35.47 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -171.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.4 tp -107.93 149.5 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.573 . . . . 0.0 112.892 -165.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -117.16 -60.71 1.8 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.183 0.993 . . . . 0.0 113.369 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.75 161.49 38.48 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.072 -1.642 . . . . 0.0 113.109 -177.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -137.49 148.15 45.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 122.88 0.472 . . . . 0.0 111.903 162.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -106.27 136.5 45.88 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.739 2.016 . . . . 0.0 110.555 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.24 138.57 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.152 1.381 . . . . 0.0 109.547 166.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 122.15 0.976 . . . . 0.0 113.386 166.065 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 121.393 0.616 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -68.04 -32.04 72.11 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.826 1.25 . . . . 0.0 113.302 -170.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.92 32.61 60.74 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 167.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -138.62 169.82 17.11 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.929 1.291 . . . . 0.0 110.611 168.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.82 167.84 28.75 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.241 0.925 . . . . 0.0 112.63 173.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -113.69 137.73 51.21 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.197 0.999 . . . . 0.0 109.833 166.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -129.34 143.7 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.467 1.507 . . . . 0.0 111.569 -175.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m -132.79 142.05 48.8 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.531 1.532 . . . . 0.0 111.611 -164.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -143.65 152.84 41.86 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.279 1.432 . . . . 0.0 110.65 -168.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.1 m -96.0 -17.8 20.72 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -169.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.46 152.7 40.01 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 122.574 1.178 . . . . 0.0 113.418 -170.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -82.4 -39.17 23.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.368 1.467 . . . . 0.0 113.981 -166.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -66.63 -38.34 86.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.546 0.612 . . . . 0.0 111.017 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.09 74.4 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.607 0.763 . . . . 0.0 112.262 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.3 ttt -62.42 -30.43 71.22 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -85.17 -52.79 5.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.501 1.046 . . . . 0.0 112.71 171.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -54.96 -39.78 69.29 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.816 0.846 . . . . 0.0 112.409 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.04 -56.94 5.09 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 123.56 0.744 . . . . 0.0 111.941 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.6 mm -57.58 -37.44 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.339 1.427 . . . . 0.0 112.227 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -70.05 -38.42 75.82 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.39 -32.64 24.78 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.787 1.184 . . . . 0.0 115.249 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -39.61 94.85 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.026 2.13 . . . . 0.0 111.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -47.56 106.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.241 1.016 . . . . 0.0 113.221 -173.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.82 18.79 74.47 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 118.5 -1.166 . . . . 0.0 115.408 173.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -74.17 140.52 45.21 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.049 1.924 . . . . 0.0 112.496 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -84.72 114.68 22.22 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.034 1.334 . . . . 0.0 110.017 173.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 tp -149.1 133.11 17.17 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.454 1.102 . . . . 0.0 110.697 -166.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 51.33 20.3 0.93 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -169.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.86 15.58 81.03 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.003 -1.685 . . . . 0.0 114.477 -170.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -112.05 178.96 4.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.898 2.879 . . . . 0.0 109.136 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.8 m -119.08 112.11 19.13 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.134 0.574 . . . . 0.0 110.017 166.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.3 pt -76.19 126.8 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 122.243 1.02 . . . . 0.0 111.663 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.6 t -122.33 130.31 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 125.635 1.574 . . . . 0.0 108.651 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.4 m -121.72 140.85 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.373 1.069 . . . . 0.0 113.695 -168.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -156.23 166.71 32.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.387 1.475 . . . . 0.0 111.677 157.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -59.75 154.19 18.75 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.869 1.668 . . . . 0.0 114.277 176.839 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.945 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 178.576 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 CA--C 1.545 0.755 0 CA-C-O 120.866 0.365 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -139.98 136.71 34.05 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.737 1.615 . . . . 0.0 111.222 -173.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 p -147.68 156.94 43.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.752 0.821 . . . . 0.0 112.92 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -75.64 146.83 39.99 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.808 1.643 . . . . 0.0 111.907 171.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.63 109.55 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.902 1.681 . . . . 0.0 110.408 172.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.03 121.66 6.99 Favored Glycine 0 N--CA 1.471 1.031 0 CA-C-O 119.247 -0.752 . . . . 0.0 112.432 174.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.9 p -178.8 -20.59 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.23 1.812 . . . . 0.0 113.95 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 mt -64.76 166.8 8.33 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 122.509 1.147 . . . . 0.0 112.613 -165.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -132.47 167.34 20.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.959 2.104 . . . . 0.0 109.308 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -50.65 -5.42 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -128.01 -6.95 5.48 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.563 1.545 . . . . 0.0 114.876 169.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.78 145.05 29.75 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.541 1.518 . . . . 0.0 109.187 172.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.21 -168.75 3.19 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 173.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -58.07 -20.04 36.49 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -61.07 -47.61 85.55 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.501 1.12 . . . . 0.0 111.61 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.8 -44.1 48.7 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 123.528 0.585 . . . . 0.0 112.553 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.7 mt -54.28 -48.38 71.3 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.462 0.705 . . . . 0.0 112.226 172.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -53.1 -43.0 66.5 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.988 0.915 . . . . 0.0 112.302 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.03 -35.37 56.99 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.5 -39.16 74.31 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.332 0.515 . . . . 0.0 111.802 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -79.98 -26.3 40.01 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.6 m -55.59 -25.06 36.37 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 171.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 m -66.93 -26.66 66.96 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -90.72 -23.65 20.64 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.6 -148.35 9.35 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.391 0.996 . . . . 0.0 113.159 174.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.29 107.7 19.31 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.699 -0.883 . . . . 0.0 112.151 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 tp -68.53 143.85 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.147 1.379 . . . . 0.0 111.869 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.2 tp -116.82 -41.25 3.06 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.469 1.108 . . . . 0.0 113.697 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -157.6 158.61 35.88 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.925 -1.109 . . . . 0.0 111.956 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.18 151.86 36.27 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 144.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -113.97 138.26 50.59 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.99 2.516 . . . . 0.0 111.653 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.83 133.43 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.934 1.294 . . . . 0.0 110.254 165.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.329 11.4 tp . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 123.537 1.637 . . . . 0.0 114.673 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -69.07 -34.89 75.87 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 165.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.14 77.48 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.259 0.933 . . . . 0.0 113.092 174.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -132.1 174.94 9.68 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.048 1.739 . . . . 0.0 109.059 169.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.17 -177.27 28.28 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 124.087 0.851 . . . . 0.0 112.098 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -110.1 148.11 32.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.811 0.844 . . . . 0.0 108.788 167.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.08 137.89 48.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 124.225 1.01 . . . . 0.0 109.86 171.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 m -129.22 144.2 51.13 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.047 0.939 . . . . 0.0 112.596 -172.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -113.43 161.25 17.54 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.838 1.655 . . . . 0.0 111.88 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.1 p -115.8 8.45 14.84 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 169.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -130.48 141.22 50.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.52 1.128 . . . . 0.0 111.024 166.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.86 -53.87 47.55 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.527 1.531 . . . . 0.0 114.035 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.59 -32.37 71.08 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.238 -0.914 . . . . 0.0 112.262 -176.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -35.15 73.88 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.347 0.659 . . . . 0.0 112.645 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.1 ttt -60.69 -45.18 95.16 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.162 0.585 . . . . 0.0 111.56 173.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -81.02 -33.06 33.87 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.718 -0.613 . . . . 0.0 112.625 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -67.63 -33.6 75.3 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.311 -0.868 . . . . 0.0 111.278 173.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.24 -60.41 2.48 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.98 0.512 . . . . 0.0 111.291 168.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.68 -34.59 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -172.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -74.11 -25.76 59.97 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.749 1.613 . . . . 0.0 113.443 173.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.57 -22.54 36.59 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.875 1.226 . . . . 0.0 115.486 174.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.7 mmt -77.53 -37.03 51.78 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.92 1.688 . . . . 0.0 113.355 -174.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -68.82 107.17 2.95 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.798 0.808 . . . . 0.0 112.521 -162.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.11 7.68 73.23 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.504 1.526 . . . . 0.0 115.377 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -68.3 154.9 40.84 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.979 1.889 . . . . 0.0 111.314 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.12 129.59 38.41 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.794 -0.566 . . . . 0.0 111.625 156.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.18 127.7 23.04 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.877 2.071 . . . . 0.0 107.529 170.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.1 t70 54.76 22.19 4.01 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -165.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.73 -3.36 64.4 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.943 2.211 . . . . 0.0 115.555 -172.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -98.34 146.11 26.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.327 2.251 . . . . 0.0 110.674 -177.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 t -76.16 117.56 17.99 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.039 0.536 . . . . 0.0 110.025 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.5 tt -97.41 145.91 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.096 0.958 . . . . 0.0 112.981 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.6 t -127.95 136.74 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.76 1.224 . . . . 0.0 108.871 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.7 m -122.72 130.12 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.246 1.018 . . . . 0.0 112.069 -172.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -151.71 148.8 28.35 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.87 0.868 . . . . 0.0 112.531 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.37 142.8 51.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.676 1.591 . . . . 0.0 113.715 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 176.117 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.5 p90 . . . . . 0 CA--C 1.54 0.594 0 CA-C-O 123.03 1.395 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 ttm105 -143.81 144.41 31.77 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 128.303 2.641 . . . . 0.0 107.666 174.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -139.16 149.35 44.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -176.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -77.9 144.4 36.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.918 1.687 . . . . 0.0 110.541 171.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.03 113.76 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.68 1.592 . . . . 0.0 110.472 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.3 128.21 9.39 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.395 0.997 . . . . 0.0 110.933 169.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 m -174.76 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.8 1.64 . . . . 0.0 113.066 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 mt -71.02 165.05 24.31 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 122.863 1.316 . . . . 0.0 113.368 -152.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.0 p -154.19 179.51 8.89 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 125.418 1.487 . . . . 0.0 109.605 -168.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -46.33 -36.08 5.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 167.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -92.51 -23.18 19.19 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.29 150.64 21.84 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.223 1.009 . . . . 0.0 112.722 -175.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -149.91 -177.92 6.18 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -60.67 -35.32 75.96 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.357 -0.839 . . . . 0.0 112.751 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -24.99 63.72 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.468 -0.77 . . . . 0.0 112.508 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.78 -41.71 41.29 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.044 0.831 . . . . 0.0 113.187 174.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.9 mt -59.51 -47.37 85.78 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.745 0.818 . . . . 0.0 111.513 168.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.09 -48.47 81.6 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.798 -0.564 . . . . 0.0 112.192 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.51 -23.74 62.71 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.68 80.11 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.382 -0.824 . . . . 0.0 111.914 169.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.6 -3.72 23.46 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -169.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.5 p -57.84 -16.67 12.42 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.925 2.195 . . . . 0.0 116.925 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -88.86 -13.54 39.0 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.589 -1.32 . . . . 0.0 114.402 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -75.12 -31.08 61.02 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.546 -1.346 . . . . 0.0 111.089 168.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.64 169.98 38.65 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.966 1.269 . . . . 0.0 113.023 168.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.07 145.64 56.04 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.252 1.021 . . . . 0.0 111.725 172.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.7 tp -99.91 145.64 10.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 125.252 1.421 . . . . 0.0 112.192 -169.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 tp -106.42 -42.92 4.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.246 1.418 . . . . 0.0 112.677 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.19 163.22 13.18 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.941 1.696 . . . . 0.0 111.644 172.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.46 148.59 39.75 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.695 -0.628 . . . . 0.0 110.955 161.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.539 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 44.1 tptt -104.83 138.18 41.48 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.497 2.319 . . . . 0.0 109.712 176.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.35 139.33 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.045 1.338 . . . . 0.0 109.277 165.133 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 50' ' ' ARG 0.252 10.8 tp . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 123.242 1.496 . . . . 0.0 114.932 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.481 ' HB2' HG23 ' A' ' 41' ' ' ILE . 25.2 mmm180 -79.79 -39.63 30.44 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.294 -0.879 . . . . 0.0 109.747 164.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.09 19.12 47.89 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.534 1.064 . . . . 0.0 114.494 170.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -146.02 175.16 10.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.751 1.22 . . . . 0.0 111.064 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.82 -161.91 25.4 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.153 0.882 . . . . 0.0 112.348 168.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.539 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 60.7 m-85 -112.97 156.33 23.21 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.424 1.49 . . . . 0.0 111.261 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.0 p -141.91 144.08 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.809 1.243 . . . . 0.0 110.981 173.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -133.77 122.98 24.08 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.516 1.526 . . . . 0.0 110.62 -167.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -91.57 164.01 13.93 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.705 0.802 . . . . 0.0 110.786 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.9 p -93.15 -6.23 48.36 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -137.45 154.54 49.9 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.453 1.501 . . . . 0.0 112.99 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -77.93 -50.71 11.65 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.633 1.173 . . . . 0.0 113.683 -167.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.35 -36.2 77.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.59 0.756 . . . . 0.0 111.709 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.26 97.37 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.905 1.282 . . . . 0.0 112.206 175.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.29 -41.49 96.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.075 0.55 . . . . 0.0 112.245 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -75.98 -31.38 58.95 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.312 -0.868 . . . . 0.0 113.112 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -73.73 -29.66 62.37 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.9 0.773 . . . . 0.0 111.48 170.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.65 71.78 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.534 171.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.6 mm -59.36 -48.4 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.402 1.456 . . . . 0.0 111.352 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.56 -30.54 63.25 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.858 0.863 . . . . 0.0 112.834 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.66 -26.49 27.14 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.049 1.309 . . . . 0.0 115.55 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -45.92 61.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.98 1.89 . . . . 0.0 113.434 -168.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -58.38 109.91 0.87 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -159.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.63 75.32 Favored Glycine 0 CA--C 1.536 1.397 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -63.58 157.47 23.69 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 120.388 2.094 . . . . 0.0 111.756 169.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.43 105.27 15.33 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.708 1.203 . . . . 0.0 112.064 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -119.4 134.06 55.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.964 1.706 . . . . 0.0 109.393 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 54.02 20.6 2.52 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.798 1.181 . . . . 0.0 113.02 -164.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.49 3.99 50.13 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 119.694 -1.879 . . . . 0.0 115.052 -167.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -92.74 138.64 31.31 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.581 1.952 . . . . 0.0 109.741 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.7 m -81.59 127.29 32.71 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.716 -0.615 . . . . 0.0 111.415 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.3 tt -89.83 146.08 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -174.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.41 136.94 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.826 2.051 . . . . 0.0 108.932 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.4 m -132.14 148.03 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -171.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -161.71 158.86 26.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.103 1.361 . . . . 0.0 110.9 150.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.26 152.35 25.11 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 121.109 -0.994 . . . . 0.0 112.548 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -161.285 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.991 0.424 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -138.81 133.65 32.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.942 1.297 . . . . 0.0 112.627 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 p -148.54 155.71 41.48 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.755 1.222 . . . . 0.0 113.833 -170.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -82.9 144.89 29.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.771 2.428 . . . . 0.0 112.419 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.3 t -137.86 110.2 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.065 1.746 . . . . 0.0 109.3 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.82 119.33 5.57 Favored Glycine 0 N--CA 1.473 1.122 0 CA-C-O 118.833 -0.982 . . . . 0.0 112.023 170.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.87 -4.52 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.737 1.615 . . . . 0.0 114.357 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 mt -78.6 166.9 22.01 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.568 -1.332 . . . . 0.0 111.486 -168.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -133.67 172.77 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 126.65 1.98 . . . . 0.0 108.87 175.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -56.78 -21.35 27.97 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -167.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -109.42 -12.95 14.67 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.037 1.735 . . . . 0.0 113.096 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.18 145.63 44.05 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 120.6 1.546 . . . . 0.0 110.565 169.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -146.85 -173.92 4.35 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.0 -31.46 65.11 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -59.0 -34.38 71.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.132 0.878 . . . . 0.0 112.143 173.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.05 -48.81 14.52 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.124 1.345 . . . . 0.0 113.176 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.81 -35.54 80.29 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.264 1.032 . . . . 0.0 112.309 172.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.67 -39.05 83.22 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.02 -1.05 . . . . 0.0 111.47 172.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.67 48.36 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -41.32 75.89 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.564 -0.71 . . . . 0.0 111.107 168.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -103.73 -14.45 16.09 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 -168.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 m -60.48 -20.55 60.42 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.684 1.583 . . . . 0.0 113.819 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 p -72.02 -17.89 62.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -84.46 -34.2 23.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.696 1.199 . . . . 0.0 111.895 174.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.87 -177.1 48.37 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.389 0.995 . . . . 0.0 112.866 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -81.17 119.39 23.53 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.268 1.027 . . . . 0.0 111.129 -174.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.9 mm -77.63 136.3 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.396 1.078 . . . . 0.0 111.54 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 mp -97.12 -45.67 6.46 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.547 1.539 . . . . 0.0 111.155 169.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -146.1 149.45 34.07 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.229 1.012 . . . . 0.0 111.15 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.79 127.45 13.35 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.213 1.005 . . . . 0.0 108.581 168.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.53 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 15.7 tppt? -107.46 139.62 41.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.652 1.581 . . . . 0.0 111.254 -174.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.517 HD13 ' N ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -112.53 143.04 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.234 1.414 . . . . 0.0 109.049 163.39 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.517 ' N ' HD13 ' A' ' 40' ' ' ILE . 9.5 tp . . . . . 0 CA--C 1.546 0.827 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 167.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 121.144 0.497 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HB2' HG23 ' A' ' 41' ' ' ILE . 4.3 mmp_? -97.36 -33.05 11.57 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.554 -0.716 . . . . 0.0 110.095 152.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.27 22.0 59.64 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.795 0.712 . . . . 0.0 114.323 166.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -143.14 172.82 12.21 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.494 1.518 . . . . 0.0 111.111 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.55 -175.85 34.01 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 125.286 1.422 . . . . 0.0 113.139 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.53 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 74.9 m-85 -112.25 157.13 21.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.991 1.316 . . . . 0.0 109.974 166.041 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -140.29 143.34 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 125.324 1.45 . . . . 0.0 109.879 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 p -140.46 151.6 44.99 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -123.79 161.97 24.16 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.163 1.385 . . . . 0.0 113.008 -170.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.9 t -78.44 -20.88 50.09 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.068 1.747 . . . . 0.0 113.181 174.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -134.81 150.94 50.57 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.523 1.529 . . . . 0.0 112.994 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -34.59 78.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.558 1.543 . . . . 0.0 113.177 169.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -53.38 -44.53 68.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.515 1.526 . . . . 0.0 112.586 176.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.25 -45.99 36.55 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.003 0.921 . . . . 0.0 111.473 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -59.08 -47.36 85.53 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.466 0.706 . . . . 0.0 112.198 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -78.13 -33.99 50.14 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.983 -0.532 . . . . 0.0 112.283 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.82 -29.28 64.26 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.289 1.404 . . . . 0.0 111.869 173.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.37 -54.73 15.33 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.666 -0.646 . . . . 0.0 110.737 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.92 -41.55 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.541 1.536 . . . . 0.0 112.624 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -56.24 -31.97 64.05 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.316 1.046 . . . . 0.0 112.407 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.45 -44.59 6.47 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.102 1.334 . . . . 0.0 113.891 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.429 ' CB ' HG11 ' A' ' 82' ' ' VAL . 27.0 mtt -56.07 -37.54 69.46 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.932 1.366 . . . . 0.0 112.695 -176.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -62.92 92.42 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.459 1.504 . . . . 0.0 111.276 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.31 18.09 22.62 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -84.44 165.19 18.36 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.956 1.878 . . . . 0.0 113.626 172.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -96.44 133.47 40.82 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 153.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.7 tp -146.76 131.64 18.08 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.472 1.109 . . . . 0.0 110.622 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 t0 45.68 35.18 2.03 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.928 1.291 . . . . 0.0 113.563 -162.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.71 11.4 83.22 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.045 0.831 . . . . 0.0 114.877 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -118.84 155.05 31.89 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.626 1.97 . . . . 0.0 110.366 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -79.58 106.9 11.95 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.68 -0.638 . . . . 0.0 110.624 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.0 tt -75.5 134.33 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.184 0.594 . . . . 0.0 111.368 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.8 t -133.35 140.09 47.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.106 1.762 . . . . 0.0 108.84 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.429 HG11 ' CB ' ' A' ' 70' ' ' MET . 16.0 m -138.82 148.94 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -164.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -157.86 160.55 37.81 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.009 0.924 . . . . 0.0 111.799 158.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -60.72 151.39 29.5 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.927 -1.108 . . . . 0.0 113.699 169.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.933 1.293 . . . . 0.0 113.103 -179.142 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 122.175 0.988 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -131.84 144.95 51.27 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.164 1.786 . . . . 0.0 111.594 -168.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 p -131.97 156.39 46.28 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.125 0.97 . . . . 0.0 112.201 171.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -89.28 142.27 27.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.4 1.88 . . . . 0.0 110.009 172.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.5 t -141.26 139.87 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.141 1.776 . . . . 0.0 109.299 -166.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.77 123.2 1.22 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 117.461 1.745 . . . . 0.0 117.461 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 p -150.04 -1.85 0.41 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 129.112 2.965 . . . . 0.0 112.508 166.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 mt -75.14 162.15 28.76 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.686 1.231 . . . . 0.0 112.015 -154.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -138.53 168.56 19.51 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 126.581 1.952 . . . . 0.0 108.828 -173.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -44.18 -33.6 1.58 Allowed 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -97.64 -14.94 20.66 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.996 1.318 . . . . 0.0 114.496 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.19 141.69 28.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.055 0.942 . . . . 0.0 109.797 176.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -140.9 -165.24 1.9 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.941 -0.474 . . . . 0.0 111.129 171.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.27 -38.8 13.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.527 1.131 . . . . 0.0 113.439 175.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -50.09 -38.78 40.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.696 1.199 . . . . 0.0 113.161 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.06 -46.0 38.23 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 118.883 0.765 . . . . 0.0 113.467 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.73 -29.36 64.45 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.042 0.921 . . . . 0.0 113.033 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.1 -52.09 66.38 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.422 1.489 . . . . 0.0 110.793 170.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.42 89.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.263 0.483 . . . . 0.0 111.893 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.21 -37.51 78.12 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -81.93 -19.47 40.7 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.3 t -57.7 -21.84 42.84 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -171.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 p -81.14 -18.75 45.32 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.857 1.263 . . . . 0.0 114.185 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -92.92 -27.2 17.22 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.424 1.889 . . . . 0.0 112.688 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.62 -176.03 45.32 Favored Glycine 0 CA--C 1.531 1.087 0 CA-C-N 120.095 1.316 . . . . 0.0 116.023 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -109.08 117.4 34.06 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.879 1.672 . . . . 0.0 110.836 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 mm -67.29 134.5 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.63 1.572 . . . . 0.0 113.59 -159.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.5 mt -100.58 -27.46 13.39 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 118.026 -0.988 . . . . 0.0 113.51 166.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -148.33 144.92 27.88 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.16 1.384 . . . . 0.0 110.979 176.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.73 108.41 4.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.991 1.316 . . . . 0.0 109.298 168.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 44.6 tptt -102.59 143.52 32.18 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.516 1.526 . . . . 0.0 109.998 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -117.8 140.38 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 125.62 1.568 . . . . 0.0 106.922 160.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.547 HG23 ' HB2' ' A' ' 50' ' ' ARG . 9.8 tp . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 122.58 1.181 . . . . 0.0 111.854 167.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 110.638 -0.134 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.547 ' HB2' HG23 ' A' ' 41' ' ' ILE . 5.0 mtp180 -66.82 -25.64 66.54 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 121.172 -0.955 . . . . 0.0 110.775 173.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.78 19.99 78.47 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.135 1.35 . . . . 0.0 114.842 163.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -134.83 168.52 18.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.328 1.851 . . . . 0.0 110.34 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.89 177.05 41.18 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 125.419 1.485 . . . . 0.0 113.235 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 83.7 m-85 -111.07 147.84 33.93 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.685 1.194 . . . . 0.0 109.946 167.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.07 149.59 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.426 1.09 . . . . 0.0 110.181 167.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -147.57 154.07 40.23 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -122.34 177.55 5.33 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.915 1.686 . . . . 0.0 110.591 172.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 m -72.05 -15.93 62.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.522 1.129 . . . . 0.0 113.822 172.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -150.51 160.97 43.41 Favored 'General case' 0 CA--C 1.552 1.058 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -75.27 -35.21 61.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.096 1.359 . . . . 0.0 114.158 -172.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -62.31 -45.37 93.55 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.963 0.905 . . . . 0.0 112.006 -169.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.68 78.6 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.914 0.886 . . . . 0.0 112.662 173.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 90.9 mmm -58.62 -42.16 87.59 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.234 0.925 . . . . 0.0 112.141 173.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -76.67 -34.45 58.24 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -64.47 -33.9 76.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.954 0.902 . . . . 0.0 111.176 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.91 61.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.3 0.64 . . . . 0.0 111.585 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.4 -36.45 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.627 1.103 . . . . 0.0 112.08 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.5 -27.45 67.79 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 171.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.88 -8.64 50.97 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.692 1.615 . . . . 0.0 115.733 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.6 mmt -96.1 -41.45 8.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.679 1.991 . . . . 0.0 113.43 -175.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -62.56 108.87 1.22 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -161.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.97 5.92 70.17 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.3 1.429 . . . . 0.0 115.892 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -68.03 163.18 22.9 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.73 1.765 . . . . 0.0 113.95 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -103.9 109.4 21.14 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.135 1.374 . . . . 0.0 108.885 171.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 tp -142.41 131.8 23.63 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.127 1.371 . . . . 0.0 110.611 -165.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 t0 53.41 25.02 4.3 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -159.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.08 -3.63 75.55 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 126.121 1.82 . . . . 0.0 115.59 -170.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -114.53 154.71 27.77 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.842 1.657 . . . . 0.0 112.065 -168.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.8 p -73.9 128.8 36.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.879 0.872 . . . . 0.0 112.273 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.4 tt -112.29 139.82 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 -174.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 t -119.57 146.61 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 127.96 2.504 . . . . 0.0 110.457 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.9 m -137.81 141.43 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.891 1.676 . . . . 0.0 112.458 -178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -158.47 155.64 28.87 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.058 0.943 . . . . 0.0 113.308 163.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -60.88 142.68 56.06 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.399 1.48 . . . . 0.0 114.96 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.299 0 C-N-CA 125.941 1.696 . . . . 0.0 114.295 -177.159 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 mmt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.79 101.54 14.14 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.064 1.346 . . . . 0.0 110.804 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -79.25 94.11 5.38 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.338 1.055 . . . . 0.0 109.444 165.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.2 p -110.59 179.08 4.17 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.631 1.572 . . . . 0.0 112.384 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -69.33 -18.65 63.83 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.094 -1.629 . . . . 0.0 112.318 170.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.73 -17.88 57.47 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.997 1.284 . . . . 0.0 114.126 171.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -138.99 55.49 1.71 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.621 1.568 . . . . 0.0 112.644 -170.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -126.84 167.55 15.66 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.117 1.767 . . . . 0.0 111.977 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -107.91 78.49 1.19 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 109.449 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -126.62 125.76 42.47 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.681 1.992 . . . . 0.0 109.942 -173.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -140.99 155.7 46.17 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.64 0.776 . . . . 0.0 112.665 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -84.83 145.96 27.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.649 1.98 . . . . 0.0 111.827 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.99 110.08 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.324 1.449 . . . . 0.0 108.69 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.21 134.82 11.93 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.335 0.969 . . . . 0.0 112.187 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.4 -31.57 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 126.954 2.102 . . . . 0.0 112.925 172.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.42 163.64 5.05 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.249 1.819 . . . . 0.0 113.802 -161.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.1 p -145.14 175.62 10.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.106 1.762 . . . . 0.0 111.183 -169.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.1 p90 -51.69 -14.79 0.38 Allowed 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 164.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -100.32 -30.61 11.77 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.128 1.371 . . . . 0.0 113.465 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.61 146.59 23.66 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 120.382 1.447 . . . . 0.0 113.926 -176.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -137.29 -178.3 5.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.221 1.009 . . . . 0.0 112.753 174.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.04 -33.08 64.62 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.874 0.87 . . . . 0.0 112.812 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.25 -38.86 81.1 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.06 0.944 . . . . 0.0 111.859 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.62 -35.93 62.41 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.643 1.116 . . . . 0.0 113.888 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pp -79.59 -35.18 40.04 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.693 1.246 . . . . 0.0 111.989 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -55.25 -45.5 76.05 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.268 -0.895 . . . . 0.0 110.678 170.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.68 -18.73 65.03 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.48 -24.29 24.17 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.307 1.043 . . . . 0.0 113.689 172.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -102.53 -21.22 14.23 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.675 1.59 . . . . 0.0 114.217 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 t -59.95 -23.61 63.7 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.961 1.304 . . . . 0.0 113.349 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 p -69.79 -12.59 61.75 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.656 1.982 . . . . 0.0 115.031 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -95.69 -38.85 10.18 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.156 0.982 . . . . 0.0 112.665 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.49 179.19 46.84 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 115.285 0.874 . . . . 0.0 115.285 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.21 115.68 11.73 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.688 1.595 . . . . 0.0 111.651 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.1 mm -78.08 139.84 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.784 1.234 . . . . 0.0 111.942 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 mt -92.42 -45.35 8.2 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.429 1.492 . . . . 0.0 111.686 168.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.55 159.36 44.15 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.901 0.858 . . . . 0.0 111.645 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.87 148.64 47.19 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.031 149.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -119.38 137.79 53.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.696 1.598 . . . . 0.0 108.934 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.74 132.67 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.025 1.33 . . . . 0.0 109.402 164.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.281 10.6 tp -125.59 140.54 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 123.028 1.395 . . . . 0.0 113.52 -173.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -149.72 166.49 29.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 129.277 3.031 . . . . 0.0 109.039 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -85.66 109.71 18.78 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.757 1.162 . . . . 0.0 110.47 156.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -68.73 -17.3 64.03 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.932 1.293 . . . . 0.0 114.44 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -76.69 -52.65 9.24 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.513 0.725 . . . . 0.0 109.678 170.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -82.23 -19.46 39.65 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.741 0.816 . . . . 0.0 112.701 -170.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.75 33.55 55.29 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.212 0.911 . . . . 0.0 112.514 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -120.75 116.09 24.56 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.505 1.522 . . . . 0.0 110.974 -168.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t -74.19 140.35 45.05 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.136 0.88 . . . . 0.0 112.568 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -72.15 -28.63 63.37 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.817 0.847 . . . . 0.0 110.284 161.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.37 26.4 68.14 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.033 1.301 . . . . 0.0 113.839 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -150.79 -179.25 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 125.11 1.364 . . . . 0.0 110.396 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.61 -151.85 10.83 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 124.245 0.926 . . . . 0.0 110.893 161.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -114.13 156.9 23.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 p -128.91 142.97 42.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 126.841 2.056 . . . . 0.0 108.814 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.5 p -137.37 141.38 41.76 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -111.46 153.89 25.49 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.995 1.318 . . . . 0.0 112.722 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 m -75.21 -13.14 60.42 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.796 1.239 . . . . 0.0 113.748 170.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -139.19 150.68 45.85 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.442 1.897 . . . . 0.0 110.833 -172.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -82.4 -36.56 26.61 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -57.34 -42.51 82.09 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.313 1.045 . . . . 0.0 111.384 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.82 -43.84 97.71 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.105 0.962 . . . . 0.0 112.543 174.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 44.0 ttp -63.91 -44.7 92.16 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.903 -0.498 . . . . 0.0 111.663 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -77.75 -39.79 43.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 118.457 -0.782 . . . . 0.0 113.095 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -67.68 -29.37 68.63 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.037 0.835 . . . . 0.0 111.81 173.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.03 -62.43 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.439 0.563 . . . . 0.0 110.754 169.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.3 mt -52.71 -46.2 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.438 1.017 . . . . 0.0 112.806 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -65.86 -21.09 66.44 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.23 0.923 . . . . 0.0 113.388 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.21 -26.07 10.54 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.835 1.207 . . . . 0.0 115.741 173.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.6 mmt -76.64 -26.65 55.12 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.122 1.769 . . . . 0.0 114.733 -168.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -51.24 114.57 1.24 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.033 0.833 . . . . 0.0 111.664 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.89 6.97 87.89 Favored Glycine 0 CA--C 1.537 1.45 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -67.11 167.59 11.73 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.679 1.74 . . . . 0.0 112.361 173.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -118.28 117.4 29.0 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.84 0.856 . . . . 0.0 112.266 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -116.56 134.59 54.66 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.979 2.112 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.7 t0 44.7 32.93 0.85 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.757 1.623 . . . . 0.0 115.221 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.41 20.09 65.07 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.156 1.36 . . . . 0.0 115.721 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -132.25 144.63 50.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.931 2.092 . . . . 0.0 111.279 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 t -82.43 133.48 35.21 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.48 -0.762 . . . . 0.0 112.27 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 pt -98.44 163.4 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -169.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.8 t -133.96 141.89 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.666 1.587 . . . . 0.0 108.975 165.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 m -123.33 132.65 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.377 1.471 . . . . 0.0 112.549 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -154.78 164.01 39.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.219 -0.926 . . . . 0.0 112.084 160.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.59 152.03 27.3 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.968 -1.082 . . . . 0.0 112.998 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.08 19.54 4.94 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.607 1.163 . . . . 0.0 113.387 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -79.71 -49.08 12.61 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.959 1.303 . . . . 0.0 112.286 -173.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 t -74.93 -37.33 62.04 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.923 -1.11 . . . . 0.0 112.209 -175.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -68.06 -30.87 70.17 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.272 -0.892 . . . . 0.0 112.855 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -72.56 -40.87 52.94 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.306 0.955 . . . . 0.0 113.249 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -71.5 -32.54 68.34 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.929 1.292 . . . . 0.0 113.317 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.18 2.59 59.09 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.764 1.65 . . . . 0.0 115.88 174.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.367 0 C-N-CA 125.621 1.582 . . . . 0.0 113.617 -177.291 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.94 89.95 2.49 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.729 1.212 . . . . 0.0 108.924 166.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -82.79 81.09 8.67 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 122.179 0.99 . . . . 0.0 111.823 -173.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t -78.26 -176.74 4.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.628 1.971 . . . . 0.0 111.601 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.95 -15.99 47.73 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -170.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.41 -11.87 76.96 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.739 1.162 . . . . 0.0 115.829 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.71 160.11 21.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.966 1.383 . . . . 0.0 113.573 -169.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -138.24 163.94 30.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.179 1.392 . . . . 0.0 112.572 171.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -77.63 80.69 4.09 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.868 -1.145 . . . . 0.0 111.099 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 ptm85 -133.64 144.71 49.39 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 p -135.56 158.43 44.4 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.664 1.585 . . . . 0.0 113.655 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -92.23 150.17 21.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.249 2.22 . . . . 0.0 111.794 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.7 120.44 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.837 1.655 . . . . 0.0 110.478 177.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.03 122.29 7.44 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.729 -1.039 . . . . 0.0 111.316 169.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -177.64 -33.21 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.851 1.26 . . . . 0.0 114.289 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.3 mt -56.3 151.62 12.49 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -164.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 p -130.53 179.41 5.95 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.023 2.129 . . . . 0.0 111.092 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.2 p90 -47.66 -25.67 1.26 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 164.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -88.7 -34.11 17.31 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.392 1.477 . . . . 0.0 113.287 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.19 153.29 21.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.712 1.205 . . . . 0.0 113.736 -169.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.08 -172.05 3.5 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.643 1.177 . . . . 0.0 112.183 165.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -52.44 -35.16 51.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.617 1.167 . . . . 0.0 112.791 172.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -69.23 -40.59 77.85 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.974 1.31 . . . . 0.0 113.993 -170.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.1 -28.71 72.62 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.436 0.562 . . . . 0.0 112.847 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.71 -38.24 47.75 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 117.725 0.762 . . . . 0.0 111.782 170.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.25 -43.48 70.96 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.617 1.098 . . . . 0.0 111.157 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.73 82.11 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.713 0.688 . . . . 0.0 112.843 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -30.17 70.24 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -88.84 -24.58 22.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.516 1.126 . . . . 0.0 113.587 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 m -60.85 -20.39 61.69 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.535 1.062 . . . . 0.0 113.833 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -60.43 -27.76 67.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.937 0.895 . . . . 0.0 113.382 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -91.68 -24.87 19.36 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.729 1.212 . . . . 0.0 113.412 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.16 -171.08 43.34 Favored Glycine 0 CA--C 1.533 1.157 0 N-CA-C 115.315 0.886 . . . . 0.0 115.315 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.95 116.21 15.43 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.219 1.408 . . . . 0.0 111.622 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 mm -77.99 135.27 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.453 1.101 . . . . 0.0 110.916 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.05 -35.03 12.1 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.777 1.231 . . . . 0.0 112.079 169.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -164.54 157.55 17.21 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.263 0.938 . . . . 0.0 111.107 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.74 148.05 36.62 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.26 0.552 . . . . 0.0 110.797 158.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -103.05 133.84 47.5 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.297 -0.877 . . . . 0.0 110.236 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.31 136.75 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 125.839 1.656 . . . . 0.0 108.535 166.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 50' ' ' ARG . 8.5 tp -126.8 121.76 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 122.893 1.33 . . . . 0.0 112.861 168.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -158.86 154.13 25.55 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.563 2.345 . . . . 0.0 109.675 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -119.15 111.5 18.34 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.047 -1.033 . . . . 0.0 112.067 147.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.33 -33.33 74.1 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.104 1.362 . . . . 0.0 112.448 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.8 -44.26 77.75 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.605 1.162 . . . . 0.0 112.434 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.8 p -105.98 14.31 28.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.75 28.2 71.18 Favored Glycine 0 CA--C 1.533 1.212 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 166.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -119.44 87.56 2.76 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.013 1.325 . . . . 0.0 112.286 -174.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.6 m -84.44 104.6 14.59 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.157 0.583 . . . . 0.0 109.84 173.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HB2' HG23 ' A' ' 41' ' ' ILE . 15.5 mmp_? -67.76 -31.37 71.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.19 0.596 . . . . 0.0 111.713 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.35 23.72 64.87 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 115.503 0.961 . . . . 0.0 115.503 162.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -139.89 167.83 21.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.496 1.519 . . . . 0.0 110.577 173.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.55 176.9 32.17 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.594 1.092 . . . . 0.0 113.346 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.66 158.2 23.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.499 1.12 . . . . 0.0 111.328 167.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.17 139.36 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.647 1.579 . . . . 0.0 109.226 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -126.84 136.67 52.66 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.027 1.331 . . . . 0.0 112.259 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -112.94 157.25 21.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.791 2.037 . . . . 0.0 111.936 -167.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 m -82.35 -27.42 32.18 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.173 0.989 . . . . 0.0 113.17 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -137.11 152.69 50.29 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.563 1.145 . . . . 0.0 113.475 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -68.2 -41.13 81.82 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.623 1.969 . . . . 0.0 113.947 -170.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -68.32 -37.86 80.99 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.991 -1.068 . . . . 0.0 112.649 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.83 92.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.307 0.643 . . . . 0.0 112.173 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 43.8 ttp -61.8 -43.47 98.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.977 0.911 . . . . 0.0 111.98 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -75.06 -49.48 19.6 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.476 0.71 . . . . 0.0 112.448 -173.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -71.85 -23.03 61.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.09 -61.88 1.98 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.219 167.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.09 -44.49 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 125.164 1.385 . . . . 0.0 112.015 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.78 -22.77 67.06 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.582 1.153 . . . . 0.0 113.608 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.44 -31.54 6.75 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.559 1.076 . . . . 0.0 114.656 169.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mmt -67.51 -28.35 67.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.975 1.71 . . . . 0.0 114.31 -172.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -56.18 104.73 0.15 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.737 0.815 . . . . 0.0 112.412 -173.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.82 8.02 77.08 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.737 1.455 . . . . 0.0 116.737 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -67.72 154.8 40.7 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.067 1.934 . . . . 0.0 112.83 174.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -85.74 120.04 26.73 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.094 0.957 . . . . 0.0 110.98 163.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -128.22 131.39 48.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.544 1.938 . . . . 0.0 109.27 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 56.3 20.56 4.71 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.418 1.487 . . . . 0.0 113.619 -169.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.54 6.07 86.45 Favored Glycine 0 CA--C 1.539 1.571 0 O-C-N 120.207 -1.558 . . . . 0.0 114.982 -170.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -108.34 150.56 27.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.912 2.085 . . . . 0.0 109.989 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.7 m -82.1 132.58 35.25 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.447 -0.783 . . . . 0.0 111.258 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.8 tt -101.94 148.76 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 121.726 0.774 . . . . 0.0 112.974 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.5 t -129.09 139.65 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.336 1.854 . . . . 0.0 108.162 173.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 m -133.49 130.78 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -168.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -154.38 158.71 40.46 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.845 1.258 . . . . 0.0 111.703 169.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.32 151.55 27.41 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.07 -1.019 . . . . 0.0 112.823 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.03 24.87 4.95 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.289 1.436 . . . . 0.0 112.783 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.43 -28.13 66.67 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.033 -1.042 . . . . 0.0 112.604 -174.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -62.43 -32.23 73.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.257 1.423 . . . . 0.0 113.398 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -80.53 -1.31 41.34 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 -171.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.12 -20.84 65.37 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 -160.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -101.0 -24.22 14.37 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.942 1.871 . . . . 0.0 114.71 -173.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.99 -51.47 28.59 Favored Glycine 0 CA--C 1.535 1.321 0 CA-C-N 119.375 0.988 . . . . 0.0 113.613 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 C-N-CA 126.273 1.892 . . . . 0.0 112.722 -177.761 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 111.35 0.13 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.76 91.02 2.55 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 153.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -108.02 104.87 14.41 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.636 1.174 . . . . 0.0 111.73 -166.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.2 m -72.71 -177.56 2.35 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 128.408 2.683 . . . . 0.0 112.814 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.99 -33.17 74.83 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -162.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.01 -16.96 79.16 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-N 119.0 0.818 . . . . 0.0 114.523 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.33 166.61 12.0 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.733 1.613 . . . . 0.0 112.256 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -140.31 152.86 46.19 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -170.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -112.76 78.71 1.15 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 122.614 1.197 . . . . 0.0 108.243 -176.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -130.48 155.76 45.92 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.534 1.533 . . . . 0.0 112.508 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -148.53 157.03 43.2 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.475 1.11 . . . . 0.0 113.441 -175.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.6 147.61 43.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.596 1.559 . . . . 0.0 111.334 166.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.11 145.46 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.349 1.86 . . . . 0.0 109.53 164.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.12 124.91 1.9 Allowed Glycine 0 CA--C 1.528 0.867 0 O-C-N 121.999 -0.438 . . . . 0.0 113.053 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.9 p -176.56 -20.88 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.996 2.118 . . . . 0.0 113.547 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.49 161.97 18.96 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.066 1.346 . . . . 0.0 112.556 -166.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -114.82 176.55 5.0 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 126.771 2.029 . . . . 0.0 110.471 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -50.86 -25.71 4.87 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.161 0.984 . . . . 0.0 113.647 166.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -100.22 -29.35 12.51 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.63 149.09 45.91 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.873 1.67 . . . . 0.0 111.542 174.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -149.03 -178.29 6.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -58.46 -33.71 70.06 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.301 -0.875 . . . . 0.0 113.204 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -66.6 -32.05 73.14 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.71 -43.78 65.91 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.437 1.018 . . . . 0.0 112.582 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -57.89 -51.02 71.35 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 117.625 0.712 . . . . 0.0 111.483 168.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.43 -45.15 76.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.174 0.989 . . . . 0.0 112.007 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.12 -27.37 63.53 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -174.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.39 -47.31 34.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.121 0.568 . . . . 0.0 110.789 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -76.31 -20.57 57.17 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.9 t -62.34 -21.3 65.19 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.147 0.885 . . . . 0.0 113.033 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.8 m -71.46 -23.55 61.85 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.831 -1.168 . . . . 0.0 113.176 173.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -79.47 -43.73 22.68 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.447 -0.783 . . . . 0.0 111.266 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.92 -160.48 26.89 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 116.107 1.203 . . . . 0.0 116.107 176.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.89 132.71 53.01 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.52 1.128 . . . . 0.0 111.844 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 mm -109.0 138.8 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.227 1.811 . . . . 0.0 110.316 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -96.96 -31.13 12.7 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.081 1.352 . . . . 0.0 112.734 169.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -164.21 154.85 15.17 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.271 1.028 . . . . 0.0 111.378 -177.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.79 150.3 49.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.556 138.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -102.55 144.72 30.61 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.981 1.713 . . . . 0.0 110.282 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.95 141.35 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.655 1.182 . . . . 0.0 110.211 160.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.4 tp -126.09 144.06 37.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -142.11 148.76 38.87 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 128.449 2.699 . . . . 0.0 108.807 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.06 98.39 6.44 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.215 1.371 . . . . 0.0 112.428 167.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -65.89 -26.52 67.66 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.181 1.392 . . . . 0.0 112.81 176.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -58.35 -42.54 87.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.813 1.245 . . . . 0.0 111.851 169.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.73 9.4 39.15 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.937 1.295 . . . . 0.0 112.721 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.29 21.71 66.6 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.666 1.603 . . . . 0.0 115.535 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -116.83 132.62 56.65 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.991 1.396 . . . . 0.0 113.861 -161.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 p -62.26 118.7 7.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 152.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -81.61 -23.62 36.93 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.749 -1.219 . . . . 0.0 111.203 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.75 15.5 66.75 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.641 1.115 . . . . 0.0 115.347 163.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -127.41 168.72 14.46 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.247 2.219 . . . . 0.0 108.981 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.54 178.25 34.84 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.391 0.996 . . . . 0.0 113.514 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -116.36 158.08 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.563 1.145 . . . . 0.0 110.689 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.12 138.89 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.938 1.295 . . . . 0.0 108.913 168.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 t -131.34 133.85 45.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.635 1.174 . . . . 0.0 111.327 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -109.65 156.54 20.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.433 1.493 . . . . 0.0 111.667 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -85.15 -16.32 40.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -132.47 146.28 51.82 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.871 1.214 . . . . 0.0 112.308 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -77.64 -40.81 40.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.62 1.168 . . . . 0.0 113.58 -163.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -73.28 -35.52 66.17 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.027 -1.046 . . . . 0.0 112.019 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.51 97.9 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.582 1.153 . . . . 0.0 112.148 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -59.87 -45.16 93.36 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.692 0.797 . . . . 0.0 112.082 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -71.96 -35.62 69.61 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.48 -0.762 . . . . 0.0 112.126 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -67.38 -30.24 69.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.068 0.547 . . . . 0.0 112.067 174.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.47 43.82 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 118.598 -0.715 . . . . 0.0 110.737 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.9 mm -54.09 -39.3 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 120.154 1.343 . . . . 0.0 113.211 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.15 -26.03 61.94 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 120.605 -1.31 . . . . 0.0 113.954 172.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.32 -33.6 22.48 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.64 1.114 . . . . 0.0 114.727 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mtt -69.34 -41.74 76.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.471 1.908 . . . . 0.0 112.949 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -53.06 112.68 0.9 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.16 0.984 . . . . 0.0 111.957 -171.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.81 86.98 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.754 1.462 . . . . 0.0 116.754 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -69.24 146.28 52.46 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.12 1.96 . . . . 0.0 112.957 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -86.6 86.1 7.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.852 1.261 . . . . 0.0 108.943 169.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -95.82 127.85 42.2 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.066 0.946 . . . . 0.0 110.029 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.9 t70 55.09 23.2 5.05 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 122.218 1.008 . . . . 0.0 112.825 -160.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.26 -5.88 83.2 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.675 2.083 . . . . 0.0 115.54 -172.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -108.08 134.87 50.35 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.449 1.624 . . . . 0.0 111.852 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.6 m -64.24 118.75 9.08 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.732 0.813 . . . . 0.0 111.946 -176.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.0 tt -93.85 161.43 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.399 1.48 . . . . 0.0 112.395 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.6 t -136.64 146.21 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.81 1.644 . . . . 0.0 108.694 173.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.9 m -127.18 142.71 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.865 1.266 . . . . 0.0 113.659 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.19 160.4 38.68 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.776 1.231 . . . . 0.0 111.35 152.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 153.25 17.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.764 1.226 . . . . 0.0 113.685 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.29 26.99 5.1 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.704 1.602 . . . . 0.0 113.187 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.12 -24.35 14.91 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.02 -1.05 . . . . 0.0 112.565 171.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 p -48.72 -34.28 11.76 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.44 1.896 . . . . 0.0 114.055 165.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -79.58 -7.23 58.37 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.626 1.571 . . . . 0.0 115.018 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.95 -13.78 42.36 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 125.093 1.33 . . . . 0.0 114.167 170.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -111.97 153.44 26.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.576 2.35 . . . . 0.0 109.848 168.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.3 159.87 35.97 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.459 1.028 . . . . 0.0 113.328 -169.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.156 0 C-N-CA 125.279 1.419 . . . . 0.0 112.639 -174.18 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mpp? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.9 105.98 6.65 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.263 1.025 . . . . 0.0 111.057 170.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -97.08 104.05 16.03 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.274 1.429 . . . . 0.0 110.429 -176.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.9 m -55.56 172.67 0.15 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.717 2.007 . . . . 0.0 112.928 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -63.71 -31.08 72.14 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.102 -1.624 . . . . 0.0 113.475 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.91 -9.67 85.07 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.07 1.795 . . . . 0.0 115.319 173.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.73 159.27 15.02 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.644 1.578 . . . . 0.0 112.362 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -140.24 149.55 43.01 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -169.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -90.5 73.94 6.85 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.489 -0.757 . . . . 0.0 110.35 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -113.94 137.26 51.92 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.512 1.125 . . . . 0.0 111.727 -172.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.29 157.07 46.39 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.319 1.047 . . . . 0.0 112.768 175.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -76.36 151.12 36.73 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.784 2.034 . . . . 0.0 111.754 170.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.75 120.04 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.248 1.819 . . . . 0.0 110.361 170.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.14 124.19 5.92 Favored Glycine 0 N--CA 1.474 1.208 0 C-N-CA 124.434 1.016 . . . . 0.0 112.481 172.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 p -179.79 -24.21 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.961 1.704 . . . . 0.0 114.147 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.96 159.37 20.08 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.079 1.352 . . . . 0.0 113.252 -161.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.7 m -127.17 169.63 13.25 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 126.913 2.085 . . . . 0.0 109.792 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -54.02 -33.68 57.87 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -78.7 -31.36 46.5 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.559 1.143 . . . . 0.0 113.334 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.12 156.51 37.31 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.273 1.429 . . . . 0.0 112.265 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -148.78 -165.57 2.31 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.478 -0.763 . . . . 0.0 112.492 163.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -54.88 -31.44 59.86 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 121.619 -0.676 . . . . 0.0 112.496 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -52.97 -44.55 67.24 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.307 0.958 . . . . 0.0 112.395 -177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.44 -36.71 43.37 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.476 -176.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.29 -37.82 56.98 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.996 1.398 . . . . 0.0 111.655 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -57.95 -43.98 86.7 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.612 1.165 . . . . 0.0 110.588 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.18 82.2 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.28 74.0 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.588 -0.695 . . . . 0.0 111.621 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -73.88 -30.63 62.73 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.49 1.116 . . . . 0.0 113.097 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.8 t -60.16 -20.11 56.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.218 1.007 . . . . 0.0 113.418 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 m -80.18 -15.14 57.7 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -88.38 -26.28 22.26 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.661 1.184 . . . . 0.0 113.108 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.3 -173.86 46.19 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.632 1.11 . . . . 0.0 113.489 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.03 115.33 5.96 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.214 1.006 . . . . 0.0 111.392 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.7 tp -88.14 145.17 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 127.341 2.256 . . . . 0.0 111.871 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -113.24 -55.6 2.5 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.836 1.254 . . . . 0.0 113.042 -171.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -164.15 154.72 15.18 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.562 1.945 . . . . 0.0 110.43 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.08 147.36 40.16 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.814 0.846 . . . . 0.0 112.956 167.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 59.4 tptt -102.09 150.45 23.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.098 2.159 . . . . 0.0 110.389 177.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.55 145.67 34.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 126.019 1.727 . . . . 0.0 108.573 161.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.514 HG23 ' HB2' ' A' ' 50' ' ' ARG . 11.0 tp -132.57 137.39 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-O 123.158 1.456 . . . . 0.0 114.816 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -158.38 -177.74 6.76 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.855 2.862 . . . . 0.0 110.07 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -122.53 125.23 45.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.775 0.83 . . . . 0.0 110.193 151.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -78.19 -17.64 56.52 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.53 -57.06 4.08 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.063 0.847 . . . . 0.0 110.215 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.7 p -86.72 2.97 46.8 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 173.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.15 30.93 66.87 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 116.143 1.217 . . . . 0.0 116.143 164.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -118.68 122.21 41.98 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.916 1.686 . . . . 0.0 112.75 -169.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 m -75.39 141.47 43.24 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.338 -0.851 . . . . 0.0 110.207 166.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.514 ' HB2' HG23 ' A' ' 41' ' ' ILE . 19.7 mtp85 -90.78 -26.01 19.68 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.737 0.415 . . . . 0.0 111.376 168.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.29 19.62 58.48 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.12 1.343 . . . . 0.0 114.81 167.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -144.65 172.97 12.25 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.301 -1.117 . . . . 0.0 112.031 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.74 -177.22 31.62 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 125.518 1.532 . . . . 0.0 113.376 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.555 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 69.5 m-85 -115.76 161.42 18.76 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.104 1.362 . . . . 0.0 110.188 161.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -148.36 150.62 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.901 1.28 . . . . 0.0 110.888 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.8 t -143.03 153.42 42.94 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -171.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -126.11 167.04 15.93 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.721 2.008 . . . . 0.0 113.844 -171.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.3 p -78.54 -19.09 53.66 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -147.94 162.08 40.03 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.32 1.448 . . . . 0.0 113.643 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -63.95 -33.62 76.14 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.089 1.756 . . . . 0.0 113.05 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -66.94 -49.89 64.05 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.601 -0.687 . . . . 0.0 112.746 -168.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.78 74.66 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -64.45 -49.12 72.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.503 0.592 . . . . 0.0 111.336 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -71.76 -35.67 70.15 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.09 -1.006 . . . . 0.0 112.273 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.89 -31.43 72.36 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.94 0.896 . . . . 0.0 112.127 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.68 -59.44 2.95 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.31 171.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.9 mm -53.07 -37.87 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 120.128 1.331 . . . . 0.0 112.655 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.52 -44.85 77.04 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.8 1.24 . . . . 0.0 113.093 172.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.95 -23.56 29.78 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.401 1.0 . . . . 0.0 115.055 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.438 ' HB3' HG11 ' A' ' 82' ' ' VAL . 12.8 mmt -74.72 -32.25 62.08 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.814 1.307 . . . . 0.0 114.306 -166.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -55.69 109.29 0.54 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 120.377 1.444 . . . . 0.0 112.112 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.46 6.3 89.0 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.177 1.37 . . . . 0.0 116.259 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -64.66 139.64 58.78 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.731 2.266 . . . . 0.0 110.751 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -82.4 98.16 8.73 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 122.011 -0.431 . . . . 0.0 111.94 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.02 135.4 51.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.051 1.74 . . . . 0.0 109.837 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 t70 51.57 29.39 5.44 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.049 0.939 . . . . 0.0 113.398 -174.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.78 17.23 80.09 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.521 -1.362 . . . . 0.0 115.493 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -131.57 145.6 51.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.371 1.868 . . . . 0.0 111.712 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 81.0 p -70.18 127.08 31.58 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.671 -0.643 . . . . 0.0 111.251 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.9 tt -94.61 144.97 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.712 0.768 . . . . 0.0 112.98 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.61 133.67 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.705 1.602 . . . . 0.0 108.603 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 70' ' ' MET . 8.7 m -133.19 141.33 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -169.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -154.94 159.87 40.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.551 1.14 . . . . 0.0 110.838 164.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -59.62 146.34 41.33 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.162 -0.961 . . . . 0.0 110.831 169.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.82 -0.35 10.16 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -70.09 -24.41 63.21 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.509 1.05 . . . . 0.0 112.019 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.6 p -70.54 -17.52 62.93 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 170.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -96.35 17.95 14.89 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.218 1.807 . . . . 0.0 113.9 -168.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.45 160.44 10.35 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.305 0.955 . . . . 0.0 114.726 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -139.33 -3.61 1.53 Allowed 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.81 -11.03 85.79 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.165 -0.959 . . . . 0.0 114.696 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.389 1.947 . . . . 0.0 110.128 -179.036 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.464 0.173 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.79 88.66 5.22 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.967 -1.083 . . . . 0.0 110.562 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -88.32 92.28 9.11 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.597 1.159 . . . . 0.0 109.898 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.2 m -70.42 179.9 2.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.104 1.762 . . . . 0.0 113.108 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -54.06 -36.63 63.31 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.644 1.578 . . . . 0.0 114.718 -173.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.68 -15.26 81.72 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 115.284 0.874 . . . . 0.0 115.284 175.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.91 -170.21 2.08 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.701 1.6 . . . . 0.0 112.266 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -133.95 125.4 28.16 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.484 1.114 . . . . 0.0 112.566 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -92.77 79.49 4.74 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 123.046 1.403 . . . . 0.0 110.728 173.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -140.35 153.62 46.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.851 2.06 . . . . 0.0 110.986 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.82 155.67 49.41 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.557 0.694 . . . . 0.0 112.028 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -74.41 149.87 40.25 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.477 1.111 . . . . 0.0 110.629 167.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -138.18 104.7 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.343 1.457 . . . . 0.0 108.468 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.21 120.44 6.17 Favored Glycine 0 N--CA 1.47 0.935 0 CA-C-O 119.376 -0.68 . . . . 0.0 111.843 173.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.5 p -177.47 -19.61 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.0 mt -76.79 166.15 23.75 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 122.767 1.27 . . . . 0.0 113.844 -163.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -147.01 173.62 12.28 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.637 2.375 . . . . 0.0 109.23 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -56.07 -24.93 42.99 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -170.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -90.12 -25.46 20.7 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.861 1.209 . . . . 0.0 113.996 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.46 155.27 34.02 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.632 1.106 . . . . 0.0 110.877 172.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.39 -167.97 2.97 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 121.463 -0.773 . . . . 0.0 112.672 167.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -51.99 -31.88 31.34 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -71.56 -29.56 64.87 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.042 -1.036 . . . . 0.0 112.386 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.33 -31.27 47.15 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-O 118.453 -1.193 . . . . 0.0 113.424 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.11 -40.76 44.67 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.336 1.068 . . . . 0.0 111.418 164.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.33 -48.19 81.35 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 120.154 1.343 . . . . 0.0 111.542 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.31 -39.36 89.25 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.097 0.862 . . . . 0.0 112.602 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -26.43 62.35 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.352 1.061 . . . . 0.0 113.67 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -88.63 -25.31 22.49 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.33 1.052 . . . . 0.0 112.887 175.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m -59.85 -19.52 51.61 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -72.11 -22.26 61.36 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.988 -1.07 . . . . 0.0 113.623 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -84.4 -31.6 24.59 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.593 0.757 . . . . 0.0 112.115 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.09 -169.47 41.3 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-O 122.328 0.96 . . . . 0.0 114.32 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -95.18 129.11 42.42 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 125.783 1.633 . . . . 0.0 110.871 -172.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.6 mm -101.09 137.23 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.326 1.45 . . . . 0.0 112.012 -165.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -110.64 -14.55 14.03 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.768 1.227 . . . . 0.0 112.916 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -152.12 144.09 23.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.329 0.968 . . . . 0.0 111.518 170.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.15 112.36 7.71 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.527 1.531 . . . . 0.0 107.282 161.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 43.6 tptt -103.13 141.79 35.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.163 1.385 . . . . 0.0 110.437 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.61 138.38 50.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 125.645 1.578 . . . . 0.0 109.968 168.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 tp -112.71 122.09 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-O 122.229 1.014 . . . . 0.0 112.129 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -147.95 129.36 14.84 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 128.623 2.769 . . . . 0.0 108.343 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -113.37 89.56 3.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.86 0.864 . . . . 0.0 110.122 166.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -55.12 -42.58 73.17 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.219 1.407 . . . . 0.0 112.22 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.69 -31.42 72.59 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.35 1.46 . . . . 0.0 112.354 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.2 m -94.99 -9.56 33.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.552 1.541 . . . . 0.0 112.289 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.39 30.09 63.04 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.29 0.947 . . . . 0.0 113.198 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -117.31 81.81 1.71 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.092 1.757 . . . . 0.0 110.954 -166.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.8 m -85.06 96.82 9.54 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.941 0.896 . . . . 0.0 109.382 168.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -67.29 -30.48 70.35 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.249 1.02 . . . . 0.0 111.711 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.23 29.02 51.91 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.038 0.828 . . . . 0.0 115.071 166.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -155.21 175.89 13.26 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.75 1.22 . . . . 0.0 111.84 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.6 -149.03 7.64 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.247 0.927 . . . . 0.0 112.936 162.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.524 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 18.0 m-85 -114.09 158.76 20.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.547 1.539 . . . . 0.0 111.891 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.79 138.98 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.485 1.114 . . . . 0.0 110.023 165.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 p -125.92 142.39 51.54 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.142 0.883 . . . . 0.0 113.015 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -103.78 168.89 8.85 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.719 1.208 . . . . 0.0 112.244 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m -88.77 -29.08 20.05 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.044 1.338 . . . . 0.0 112.42 167.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -138.53 151.04 46.98 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.158 1.383 . . . . 0.0 112.646 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -80.61 -29.74 36.81 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -72.25 -35.71 68.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.074 -1.016 . . . . 0.0 111.335 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.89 97.6 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.478 0.711 . . . . 0.0 111.461 169.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.0 ttp -58.85 -40.68 84.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.815 0.846 . . . . 0.0 112.117 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.24 -44.89 58.69 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.36 -0.837 . . . . 0.0 112.957 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.3 -31.99 73.41 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.945 -0.55 . . . . 0.0 111.425 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.96 -59.39 3.54 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.268 0.627 . . . . 0.0 111.411 171.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.6 mt -51.52 -42.53 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 125.126 1.37 . . . . 0.0 112.142 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.87 -39.05 68.26 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.904 0.881 . . . . 0.0 112.918 171.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.85 6.33 81.92 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 127.05 2.262 . . . . 0.0 115.77 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.0 mmt -113.22 -33.59 5.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.877 1.838 . . . . 0.0 113.156 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -56.15 105.27 0.18 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.657 0.783 . . . . 0.0 110.341 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.08 15.46 81.07 Favored Glycine 0 CA--C 1.534 1.257 0 N-CA-C 116.469 1.348 . . . . 0.0 116.469 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -72.99 175.17 6.88 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.127 1.964 . . . . 0.0 112.17 172.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.27 139.95 35.21 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.249 1.02 . . . . 0.0 110.664 154.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.63 135.9 33.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.766 1.626 . . . . 0.0 109.273 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.8 t0 50.15 25.3 1.7 Allowed 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -167.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.51 3.37 90.65 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.96 1.743 . . . . 0.0 115.721 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -112.01 146.83 37.2 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.924 1.69 . . . . 0.0 109.77 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.2 m -55.37 129.7 39.62 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.477 1.035 . . . . 0.0 111.327 170.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.2 tt -101.72 144.59 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.346 1.059 . . . . 0.0 111.659 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.1 t -128.99 140.38 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 126.412 1.885 . . . . 0.0 109.429 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.4 m -126.85 151.07 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.158 1.383 . . . . 0.0 112.605 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -156.23 158.32 37.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.663 1.185 . . . . 0.0 111.811 162.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -56.35 149.34 16.84 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.256 1.022 . . . . 0.0 111.844 170.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.3 15.84 4.55 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -172.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -58.9 -23.39 61.04 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 120.001 -1.687 . . . . 0.0 113.339 173.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 m -58.35 -17.21 18.38 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 119.883 1.22 . . . . 0.0 113.859 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -117.52 21.68 12.87 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.948 2.499 . . . . 0.0 112.681 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.96 -173.57 35.39 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.658 1.123 . . . . 0.0 114.322 173.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -53.89 139.13 34.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.759 1.224 . . . . 0.0 112.333 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.31 -12.7 5.35 Favored Glycine 0 CA--C 1.54 1.616 0 N-CA-C 115.553 0.981 . . . . 0.0 115.553 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.323 0 C-N-CA 125.857 1.694 . . . . 0.0 115.465 176.438 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.76 93.61 4.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.342 1.057 . . . . 0.0 109.13 170.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -103.69 103.8 13.75 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 126.738 2.015 . . . . 0.0 110.658 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.4 p -140.4 73.59 1.43 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 147.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.52 -73.32 0.66 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.74 1.155 . . . . 0.0 110.432 167.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.18 -19.53 12.49 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.663 1.125 . . . . 0.0 113.764 173.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.46 142.36 28.04 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.646 1.578 . . . . 0.0 111.182 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -141.45 156.94 45.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.756 1.223 . . . . 0.0 112.805 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.53 79.6 1.23 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.089 1.356 . . . . 0.0 109.689 171.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -142.59 145.92 34.04 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.842 2.057 . . . . 0.0 110.722 -176.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.7 p -143.98 150.73 38.74 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -73.54 141.73 46.69 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.659 1.184 . . . . 0.0 110.904 164.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.44 145.81 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.51 1.924 . . . . 0.0 111.425 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.29 124.63 1.3 Allowed Glycine 0 N--CA 1.468 0.772 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 170.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.8 p -162.24 24.18 0.11 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.435 2.294 . . . . 0.0 111.564 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.77 168.88 10.38 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.709 1.243 . . . . 0.0 111.875 -166.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -136.71 177.05 8.16 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.946 2.499 . . . . 0.0 109.09 173.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -50.76 -21.46 1.65 Allowed 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 169.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -93.48 -32.25 14.26 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.494 1.117 . . . . 0.0 113.843 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.03 153.08 29.05 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.223 0.92 . . . . 0.0 111.854 174.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.05 -160.73 1.21 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 169.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -49.14 -31.87 9.03 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.426 1.09 . . . . 0.0 113.906 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -35.46 80.6 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.407 1.003 . . . . 0.0 112.142 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.3 -39.11 62.45 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.044 0.83 . . . . 0.0 112.798 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.31 -39.75 85.93 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.508 0.723 . . . . 0.0 112.357 171.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.98 -45.32 93.07 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.959 0.904 . . . . 0.0 110.577 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.02 89.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.649 0.78 . . . . 0.0 112.668 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -33.07 72.93 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -175.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -103.34 -13.06 16.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 174.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -55.37 -22.21 18.64 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 m -83.1 -11.39 58.04 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.548 1.539 . . . . 0.0 114.747 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -93.76 -39.58 10.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.108 1.363 . . . . 0.0 112.278 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.27 -160.44 23.1 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 123.94 0.781 . . . . 0.0 112.384 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -90.39 133.71 34.82 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 122.047 -0.678 . . . . 0.0 112.376 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 mm -75.02 136.22 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 125.045 1.338 . . . . 0.0 110.43 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.9 mt -113.03 -16.16 12.7 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.255 167.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -153.73 148.34 26.27 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.933 1.697 . . . . 0.0 112.404 169.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.94 137.42 33.08 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.529 1.132 . . . . 0.0 109.909 157.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -125.94 141.52 51.93 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.397 2.279 . . . . 0.0 109.943 -176.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.9 139.0 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.125 1.37 . . . . 0.0 109.585 166.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 tt -116.13 117.09 54.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-O 122.693 1.235 . . . . 0.0 112.366 166.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -157.59 159.32 36.96 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.721 1.608 . . . . 0.0 112.218 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -133.84 125.1 27.69 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.124 -0.985 . . . . 0.0 109.742 146.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -77.17 -38.78 51.05 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.514 0.597 . . . . 0.0 111.333 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.91 -42.32 90.3 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.836 2.055 . . . . 0.0 113.088 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -94.81 16.57 15.53 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.086 1.355 . . . . 0.0 113.801 170.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.57 11.03 72.1 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 116.79 1.476 . . . . 0.0 116.79 166.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -108.89 70.98 0.76 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.893 2.077 . . . . 0.0 112.682 -171.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.3 m -73.94 107.21 6.02 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 161.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmp_? -70.8 -30.81 67.37 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.65 -0.656 . . . . 0.0 111.083 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.21 22.74 67.4 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 123.819 0.723 . . . . 0.0 113.517 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -135.97 172.57 12.81 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 127.115 2.166 . . . . 0.0 111.019 -168.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.29 -177.01 41.48 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 125.237 1.399 . . . . 0.0 113.72 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -113.48 154.85 26.36 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.562 1.145 . . . . 0.0 110.351 162.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.41 143.55 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.435 1.094 . . . . 0.0 109.555 170.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 p -129.07 143.98 51.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.23 1.014 . . . . 0.0 112.778 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.12 -172.65 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 127.015 2.126 . . . . 0.0 110.518 -170.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 p -123.98 -10.39 7.67 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -144.1 151.08 39.11 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.374 1.443 . . . . 0.0 114.361 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -70.4 -42.48 71.62 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.3 1.44 . . . . 0.0 113.46 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -71.53 -35.47 70.69 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.918 -1.114 . . . . 0.0 111.617 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.33 -44.74 94.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.405 1.082 . . . . 0.0 111.531 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.6 ttt -57.01 -40.39 76.53 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.193 0.597 . . . . 0.0 111.742 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -80.05 -29.87 39.31 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.877 1.217 . . . . 0.0 113.707 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -67.79 -34.51 76.91 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.271 0.941 . . . . 0.0 110.006 168.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.23 -58.23 3.46 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.4 mm -58.2 -37.38 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 120.217 1.371 . . . . 0.0 112.802 -174.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -72.57 -26.37 61.69 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.79 1.177 . . . . 0.0 113.67 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.8 -7.49 59.97 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.822 1.677 . . . . 0.0 115.685 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.1 mmt -91.96 -41.55 10.51 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.622 1.569 . . . . 0.0 112.562 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -65.88 113.48 4.4 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.628 -0.67 . . . . 0.0 111.529 -163.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.26 5.03 83.27 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 118.103 -1.387 . . . . 0.0 116.112 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -59.04 132.95 55.56 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.118 1.959 . . . . 0.0 110.129 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -75.04 108.48 7.8 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 167.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 tt -132.93 132.51 42.08 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.957 1.703 . . . . 0.0 111.197 -170.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.8 t70 51.43 20.31 0.97 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.231 1.413 . . . . 0.0 114.66 -172.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.82 11.84 61.33 Favored Glycine 0 CA--C 1.541 1.702 0 N-CA-C 116.42 1.328 . . . . 0.0 116.42 -174.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -134.67 162.12 33.22 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.234 1.814 . . . . 0.0 111.015 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 t -88.76 124.07 33.78 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.056 -1.027 . . . . 0.0 111.328 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.1 tt -88.46 153.72 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-O 121.777 0.799 . . . . 0.0 113.074 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.97 144.22 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.321 1.849 . . . . 0.0 108.248 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -132.33 139.12 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.075 0.95 . . . . 0.0 112.701 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -157.03 149.0 22.73 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.494 0.718 . . . . 0.0 112.931 161.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.49 153.82 15.22 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.204 1.801 . . . . 0.0 114.119 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -116.94 23.15 12.11 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.503 1.521 . . . . 0.0 113.274 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -92.43 -40.8 10.66 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.901 1.68 . . . . 0.0 112.501 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.0 m -73.0 -35.51 66.84 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.003 0.921 . . . . 0.0 113.327 -174.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -66.75 -28.7 68.62 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.768 1.227 . . . . 0.0 112.627 175.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.11 0.44 58.89 Favored Glycine 0 CA--C 1.534 1.229 0 N-CA-C 115.509 0.964 . . . . 0.0 115.509 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -69.55 142.96 53.52 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.942 1.371 . . . . 0.0 111.647 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.29 -4.68 66.42 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.445 1.021 . . . . 0.0 115.465 -171.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.199 0 C-N-CA 126.245 1.879 . . . . 0.0 112.911 173.591 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.65 115.63 12.33 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.242 1.017 . . . . 0.0 110.612 166.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -76.38 79.15 3.12 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 123.285 1.517 . . . . 0.0 113.134 -177.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 p -124.81 -177.59 3.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.723 2.409 . . . . 0.0 110.12 173.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -52.23 -31.01 30.18 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -162.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.35 -33.76 78.33 Favored Glycine 0 CA--C 1.534 1.261 0 O-C-N 121.305 -0.872 . . . . 0.0 113.756 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.71 72.29 1.23 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.819 1.248 . . . . 0.0 112.753 -176.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -122.75 157.41 32.41 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.077 1.351 . . . . 0.0 111.794 172.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -113.78 75.77 0.94 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.73 0.776 . . . . 0.0 109.857 -170.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -142.13 136.72 30.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.471 1.909 . . . . 0.0 110.961 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.8 p -147.36 158.08 43.83 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.943 0.897 . . . . 0.0 113.226 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -95.86 149.42 21.55 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.295 2.238 . . . . 0.0 111.79 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.19 131.7 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.619 1.567 . . . . 0.0 112.251 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.02 135.52 12.7 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.678 1.132 . . . . 0.0 110.807 160.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p 170.22 -13.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 126.196 1.798 . . . . 0.0 114.735 171.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.42 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 10.1 mt -79.12 158.15 27.81 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.695 -1.253 . . . . 0.0 112.742 -163.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 m -140.54 175.67 9.41 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 128.614 2.766 . . . . 0.0 109.885 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -48.36 -30.47 4.98 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -100.29 -2.68 33.06 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.683 1.193 . . . . 0.0 113.904 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.34 154.88 18.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.057 0.943 . . . . 0.0 110.175 162.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -148.08 -172.12 3.99 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.917 0.887 . . . . 0.0 110.281 162.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -54.21 -44.81 71.97 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.971 1.309 . . . . 0.0 113.805 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -57.54 -43.6 84.54 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.44 -31.08 77.77 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 119.5 -0.611 . . . . 0.0 113.869 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.87 -38.81 52.93 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.026 0.913 . . . . 0.0 111.791 168.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.51 -41.82 86.31 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.757 1.162 . . . . 0.0 111.122 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.45 -41.12 96.71 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.851 0.861 . . . . 0.0 112.693 174.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.32 -24.37 63.0 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -88.14 -29.6 20.45 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.365 1.466 . . . . 0.0 113.956 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 m -61.5 -21.56 64.32 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.67 -0.643 . . . . 0.0 111.51 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 m -62.16 -18.87 62.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.919 1.687 . . . . 0.0 114.351 171.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.76 -35.09 11.09 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.857 -1.152 . . . . 0.0 113.922 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.8 -158.0 26.66 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 119.005 0.82 . . . . 0.0 114.625 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.83 130.94 37.29 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 122.266 1.031 . . . . 0.0 113.437 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.3 tt -118.95 139.24 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 126.213 1.805 . . . . 0.0 112.313 -170.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -106.2 -31.33 8.71 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.746 1.218 . . . . 0.0 113.219 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -168.44 155.78 7.82 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.535 1.134 . . . . 0.0 111.242 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.76 147.09 51.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.529 0.731 . . . . 0.0 109.286 152.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -107.03 138.49 43.09 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.499 1.52 . . . . 0.0 110.09 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.2 144.35 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.644 1.178 . . . . 0.0 110.248 162.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' HB2' ' A' ' 50' ' ' ARG . 9.1 tp -127.99 133.33 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-O 122.869 1.318 . . . . 0.0 113.371 166.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -158.16 157.35 32.54 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 130.204 3.402 . . . . 0.0 107.009 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -110.14 91.2 3.56 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.372 0.987 . . . . 0.0 111.282 156.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -52.1 -23.88 6.03 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.55 1.94 . . . . 0.0 114.115 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -58.73 -38.83 79.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.283 1.033 . . . . 0.0 112.399 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -119.55 -13.75 9.17 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.776 1.23 . . . . 0.0 113.085 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.94 30.0 11.99 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.732 1.634 . . . . 0.0 114.463 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -78.43 80.77 4.81 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.738 1.269 . . . . 0.0 110.859 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 p -67.04 119.64 12.33 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.637 0.775 . . . . 0.0 111.409 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.552 ' HB2' HG23 ' A' ' 41' ' ' ILE . 9.6 mmm180 -75.33 -32.13 60.81 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.865 -1.147 . . . . 0.0 110.593 167.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 78.94 14.24 82.21 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.96 1.743 . . . . 0.0 115.483 165.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -132.43 171.78 13.31 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.657 1.583 . . . . 0.0 111.758 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.68 173.47 36.42 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.159 1.361 . . . . 0.0 113.026 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -115.75 159.78 20.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.41 0.684 . . . . 0.0 111.538 160.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 p -134.76 146.82 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.758 1.623 . . . . 0.0 110.364 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -137.3 142.92 41.89 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.152 0.981 . . . . 0.0 112.957 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -122.44 159.75 26.96 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.73 1.612 . . . . 0.0 112.992 -169.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.9 m -70.77 -24.63 62.63 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 171.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -137.28 151.65 48.91 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.99 1.316 . . . . 0.0 112.239 -168.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -72.81 -44.72 61.14 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.763 1.225 . . . . 0.0 111.645 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -65.07 -32.03 73.53 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.873 -0.585 . . . . 0.0 111.909 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.95 83.56 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.538 0.735 . . . . 0.0 111.546 173.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.0 ttp -61.25 -44.71 96.8 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.367 0.531 . . . . 0.0 111.742 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -72.23 -37.57 69.15 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.624 -0.672 . . . . 0.0 112.277 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.2 -27.33 61.56 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.711 0.805 . . . . 0.0 111.952 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.73 -57.3 7.4 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.022 0.529 . . . . 0.0 111.031 169.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.0 mt -51.3 -45.33 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.833 1.253 . . . . 0.0 111.671 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -61.5 -30.56 70.7 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.847 0.859 . . . . 0.0 113.128 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.18 -15.0 63.25 Favored Glycine 0 CA--C 1.539 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 115.307 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.3 mmt -95.65 -31.56 13.2 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -166.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -61.16 100.0 0.11 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.681 1.128 . . . . 0.0 111.602 -172.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.83 5.14 66.68 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-O 117.439 -1.756 . . . . 0.0 116.652 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -59.95 139.18 57.58 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 120.631 2.215 . . . . 0.0 111.126 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -80.19 125.38 29.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 110.242 166.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 tp -146.26 137.6 24.6 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 125.09 1.356 . . . . 0.0 110.599 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.3 t0 48.63 24.4 0.78 Allowed 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -172.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.88 16.83 80.43 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 126.181 1.848 . . . . 0.0 116.39 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -124.22 160.51 27.75 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.171 1.788 . . . . 0.0 111.235 174.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.7 m -94.55 126.77 40.04 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.083 0.553 . . . . 0.0 111.01 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.4 mt -75.63 146.56 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.435 1.094 . . . . 0.0 112.201 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.7 t -127.1 135.68 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.354 1.462 . . . . 0.0 109.161 163.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.84 139.07 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.805 1.642 . . . . 0.0 112.836 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -151.74 152.54 32.86 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 164.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 142.46 56.96 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.788 1.235 . . . . 0.0 113.444 176.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.23 -10.96 55.96 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -67.5 -37.05 82.26 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.017 -1.052 . . . . 0.0 112.826 -171.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 p -77.88 -16.01 58.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.055 1.742 . . . . 0.0 113.984 170.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -77.14 22.4 0.21 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.222 1.409 . . . . 0.0 113.374 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.81 163.8 32.95 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.388 1.47 . . . . 0.0 113.461 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -153.56 141.99 20.7 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.891 1.676 . . . . 0.0 110.1 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.24 -129.33 9.11 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.77 0.7 . . . . 0.0 112.708 -174.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.889 177.355 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.5 mmm . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.03 104.33 12.88 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.49 1.516 . . . . 0.0 108.042 163.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -81.59 82.92 7.19 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.002 0.921 . . . . 0.0 112.414 -170.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.7 178.09 3.23 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.068 0.947 . . . . 0.0 112.335 172.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.2 -15.87 38.93 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -164.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.76 -22.46 28.34 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.634 1.112 . . . . 0.0 114.392 175.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.63 -173.87 4.38 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.899 1.28 . . . . 0.0 110.873 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -138.2 132.1 31.32 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.749 -1.219 . . . . 0.0 112.16 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.56 75.24 9.75 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 123.884 1.802 . . . . 0.0 109.772 172.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -143.2 142.13 31.33 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 129.862 3.265 . . . . 0.0 107.071 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.84 153.31 47.57 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.929 0.786 . . . . 0.0 111.885 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -88.3 146.53 25.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.965 1.706 . . . . 0.0 109.76 168.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 t -135.15 103.59 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.298 1.439 . . . . 0.0 109.12 -166.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.98 118.22 6.11 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 172.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 p -175.85 -34.18 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.0 mt -66.6 167.04 11.65 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 123.419 1.58 . . . . 0.0 113.602 -162.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -148.21 175.16 11.28 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.293 1.837 . . . . 0.0 110.293 -171.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -46.7 -33.58 4.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.321 1.849 . . . . 0.0 114.527 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -98.11 -15.49 19.94 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.13 147.25 23.2 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 119.994 1.27 . . . . 0.0 112.772 -178.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -146.24 -174.37 4.43 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -50.31 -49.78 52.69 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.947 1.699 . . . . 0.0 113.463 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -26.79 65.0 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.58 -45.8 10.55 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.81 1.195 . . . . 0.0 113.656 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.17 -38.23 81.84 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.094 1.447 . . . . 0.0 110.85 172.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.54 -47.1 66.94 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.86 0.864 . . . . 0.0 111.658 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.77 87.91 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.409 1.004 . . . . 0.0 113.586 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.0 -41.05 62.48 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.431 0.692 . . . . 0.0 112.089 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -70.08 -29.3 66.25 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.851 -1.155 . . . . 0.0 112.433 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.0 t -64.71 -20.07 66.12 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.43 1.092 . . . . 0.0 112.953 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -69.47 -13.64 62.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.486 1.114 . . . . 0.0 113.85 172.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -98.76 -42.39 7.23 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.583 1.153 . . . . 0.0 112.192 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.74 -174.48 38.7 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 115.143 0.817 . . . . 0.0 115.143 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.54 129.82 37.01 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.211 1.804 . . . . 0.0 112.345 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mm -105.27 144.31 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.598 1.559 . . . . 0.0 112.985 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.1 mt -102.65 -46.12 4.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.749 1.62 . . . . 0.0 113.034 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -154.6 152.91 30.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.329 1.052 . . . . 0.0 112.146 -169.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.46 142.65 37.37 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.023 1.329 . . . . 0.0 111.031 160.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -107.62 148.07 29.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.896 2.078 . . . . 0.0 109.156 171.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.46 144.81 31.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 125.077 1.351 . . . . 0.0 108.47 162.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' ' 50' ' ' ARG . 5.4 tp -115.65 110.44 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 122.611 1.196 . . . . 0.0 112.071 172.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -152.38 115.66 4.71 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.982 1.713 . . . . 0.0 109.062 171.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -93.54 87.74 5.64 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 167.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -63.59 -34.61 78.19 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.845 1.258 . . . . 0.0 113.221 -168.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.93 -19.73 64.2 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.215 0.916 . . . . 0.0 112.988 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.6 m -90.97 -12.28 36.44 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 120.73 -1.232 . . . . 0.0 111.963 168.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.7 21.43 78.86 Favored Glycine 0 CA--C 1.538 1.516 0 O-C-N 120.869 -1.144 . . . . 0.0 113.349 -170.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -98.16 70.6 2.07 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 127.046 2.138 . . . . 0.0 110.663 -164.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p -81.43 96.3 7.33 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.906 1.683 . . . . 0.0 111.284 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HB2' HG23 ' A' ' 41' ' ' ILE . 5.4 mmp_? -72.73 -24.37 60.97 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.986 -1.071 . . . . 0.0 112.719 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.54 33.11 61.23 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 118.465 0.575 . . . . 0.0 114.534 165.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -150.82 172.65 15.29 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.367 1.467 . . . . 0.0 111.2 173.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.4 -179.61 37.93 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.556 1.074 . . . . 0.0 113.761 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.02 160.56 18.0 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.594 1.158 . . . . 0.0 110.767 164.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.55 142.21 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.078 1.751 . . . . 0.0 109.932 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.1 t -135.2 138.66 43.84 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.325 0.966 . . . . 0.0 113.365 -172.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -115.36 162.34 17.26 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.966 1.707 . . . . 0.0 112.781 -175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.5 p -94.24 -6.1 45.38 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -139.66 151.27 45.81 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.545 1.066 . . . . 0.0 113.173 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.21 -41.44 90.15 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.221 1.808 . . . . 0.0 113.12 -173.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -78.78 -22.43 46.38 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.002 0.921 . . . . 0.0 112.754 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.13 -46.72 66.93 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.55 -1.344 . . . . 0.0 110.891 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.9 tpt -48.8 -52.31 24.69 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.25 1.82 . . . . 0.0 112.849 169.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -84.09 -26.96 28.56 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -73.01 -26.87 61.48 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.895 -1.128 . . . . 0.0 111.722 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.42 -60.31 2.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.564 0.745 . . . . 0.0 111.504 168.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.9 mt -46.84 -48.23 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.159 1.384 . . . . 0.0 112.903 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.95 -21.74 64.17 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.37 -38.42 21.55 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.251 -0.905 . . . . 0.0 113.216 165.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 22.5 mmt -73.96 -31.96 63.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.388 1.875 . . . . 0.0 114.244 -174.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -58.03 104.5 0.2 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.725 0.81 . . . . 0.0 110.713 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.92 19.41 75.29 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 115.856 1.103 . . . . 0.0 115.856 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -78.26 -170.57 2.05 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.167 1.484 . . . . 0.0 112.965 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -129.86 110.48 11.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.953 1.701 . . . . 0.0 110.472 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mp -125.28 141.34 52.14 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.204 1.802 . . . . 0.0 109.552 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 52.63 25.4 3.68 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.646 1.179 . . . . 0.0 113.628 -172.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.2 12.3 72.02 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 120.74 -1.225 . . . . 0.0 114.574 -173.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -112.67 161.88 16.35 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 127.336 2.254 . . . . 0.0 109.755 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -67.94 148.9 50.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.703 0.401 . . . . 0.0 111.588 163.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.5 tt -129.42 147.31 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.793 1.237 . . . . 0.0 111.744 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.6 t -130.75 141.57 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.989 2.116 . . . . 0.0 108.313 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 m -124.52 150.37 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.113 1.365 . . . . 0.0 112.041 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -143.75 157.81 44.13 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.492 0.663 . . . . 0.0 111.049 154.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -59.38 142.03 53.18 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.642 0.777 . . . . 0.0 111.881 164.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.63 -25.82 65.93 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.284 -0.885 . . . . 0.0 113.082 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -56.68 -28.31 60.53 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.778 0.831 . . . . 0.0 112.196 173.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.1 m -68.73 -16.47 63.82 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.681 -1.262 . . . . 0.0 113.196 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -119.26 11.03 12.17 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.179 2.191 . . . . 0.0 112.585 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.03 133.86 52.52 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.447 1.022 . . . . 0.0 114.294 -166.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -66.45 144.08 56.72 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.363 1.065 . . . . 0.0 111.9 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.99 -10.52 33.03 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.877 1.227 . . . . 0.0 114.672 -172.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 C-N-CA 125.667 1.603 . . . . 0.0 113.601 -178.811 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 119.601 -0.238 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.96 93.02 2.95 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.435 1.094 . . . . 0.0 111.529 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.88 80.1 2.29 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.421 1.088 . . . . 0.0 110.411 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -61.97 168.07 3.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.856 1.262 . . . . 0.0 113.633 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -62.05 -30.73 71.18 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.337 -1.477 . . . . 0.0 113.183 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.59 -10.92 85.33 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.049 1.309 . . . . 0.0 115.429 171.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -107.33 -167.2 1.23 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.071 1.748 . . . . 0.0 112.499 -172.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -137.85 149.82 46.62 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -80.32 103.02 9.9 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.413 1.485 . . . . 0.0 109.309 176.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.0 ttp-105 -143.41 138.0 29.04 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.159 1.384 . . . . 0.0 112.888 -175.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -139.54 154.25 47.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.811 1.244 . . . . 0.0 113.486 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -77.13 145.62 37.66 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.902 2.081 . . . . 0.0 111.733 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.45 109.14 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.597 1.559 . . . . 0.0 111.474 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.21 117.37 5.5 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 166.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.94 2.12 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.906 1.282 . . . . 0.0 114.332 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.6 mt -99.49 165.96 11.39 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.867 -1.146 . . . . 0.0 111.642 -170.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.3 p -125.97 -179.97 4.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 127.468 2.307 . . . . 0.0 109.217 166.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.6 p-90 -57.72 -15.41 7.85 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 167.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -93.63 -35.32 12.92 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.66 156.58 39.21 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.765 0.711 . . . . 0.0 110.75 174.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -147.46 -170.26 3.52 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 166.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.08 -24.28 64.47 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -73.22 -22.01 60.53 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.127 -0.983 . . . . 0.0 113.383 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.02 73.09 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-N 118.825 0.739 . . . . 0.0 112.214 168.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.96 -44.34 73.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.152 0.981 . . . . 0.0 112.559 168.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -56.39 -38.4 71.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.001 0.92 . . . . 0.0 111.438 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -51.05 26.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.327 0.651 . . . . 0.0 112.66 171.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.76 -31.01 66.08 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -98.0 -14.3 20.63 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.729 1.212 . . . . 0.0 113.929 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 m -63.36 -19.93 65.08 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -59.26 -33.79 71.47 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.645 1.178 . . . . 0.0 113.407 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -89.13 -29.44 19.35 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.24 -172.56 39.54 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 116.449 1.34 . . . . 0.0 116.449 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -72.57 126.11 29.09 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.543 1.137 . . . . 0.0 109.173 170.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.6 tp -109.58 146.0 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.461 1.104 . . . . 0.0 110.972 -166.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -109.52 -54.71 2.52 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.823 0.849 . . . . 0.0 111.569 -170.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.7 167.11 31.0 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.31 151.74 35.9 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.028 155.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.88 148.01 24.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.98 2.112 . . . . 0.0 109.551 173.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.6 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.65 1.18 . . . . 0.0 110.192 168.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 50' ' ' ARG . 9.9 tp -129.85 118.62 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.95 0.9 . . . . 0.0 112.967 171.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -158.61 148.0 19.19 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.932 2.093 . . . . 0.0 110.121 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -134.72 117.88 16.5 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.29 -0.881 . . . . 0.0 111.653 145.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -72.23 -33.15 67.35 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.678 0.672 . . . . 0.0 112.225 172.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.32 -52.1 65.02 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.869 0.867 . . . . 0.0 111.995 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.3 p -86.1 6.16 30.38 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 172.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.05 29.95 75.23 Favored Glycine 0 CA--C 1.536 1.397 0 O-C-N 121.01 -1.056 . . . . 0.0 115.237 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -110.97 71.63 0.75 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.678 1.991 . . . . 0.0 111.065 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 p -86.99 89.91 8.16 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.467 1.107 . . . . 0.0 111.006 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.497 ' HB2' HG23 ' A' ' 41' ' ' ILE . 9.2 mmm180 -70.17 -34.78 73.4 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.27 -0.894 . . . . 0.0 111.368 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.65 23.74 73.9 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.092 0.797 . . . . 0.0 115.092 169.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -136.51 171.34 14.63 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.714 1.606 . . . . 0.0 111.577 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.31 -178.64 28.07 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 124.769 1.176 . . . . 0.0 113.12 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -112.45 154.65 25.52 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.122 0.969 . . . . 0.0 109.191 159.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.9 p -135.26 145.8 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.104 1.362 . . . . 0.0 110.116 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -138.64 142.46 39.06 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.284 1.033 . . . . 0.0 113.597 -170.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -114.28 168.64 9.66 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.291 2.237 . . . . 0.0 112.059 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.6 p -99.15 -10.15 22.87 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 172.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -140.44 158.73 43.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.305 1.442 . . . . 0.0 114.193 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -71.67 -39.95 69.93 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.624 1.57 . . . . 0.0 112.157 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.15 -34.94 74.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.182 0.993 . . . . 0.0 112.565 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.47 -48.59 11.67 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.908 0.883 . . . . 0.0 111.944 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.8 tpt -46.33 -55.96 6.52 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.969 1.708 . . . . 0.0 112.711 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -84.74 -28.4 26.29 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.88 -31.18 64.52 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.866 -0.521 . . . . 0.0 111.647 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.62 -56.14 15.79 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.38 0.536 . . . . 0.0 110.662 170.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.8 mt -52.03 -49.49 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.237 1.015 . . . . 0.0 112.182 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -65.4 -18.28 65.19 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.43 -12.15 45.8 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.267 1.413 . . . . 0.0 115.058 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.7 mmt -86.92 -42.97 12.76 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.166 1.483 . . . . 0.0 114.539 -167.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -62.78 106.49 0.81 Allowed 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 118.938 0.79 . . . . 0.0 112.712 -161.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.88 -6.58 54.5 Favored Glycine 0 CA--C 1.539 1.584 0 N-CA-C 117.317 1.687 . . . . 0.0 117.317 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -63.53 155.54 29.11 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 120.708 2.254 . . . . 0.0 111.898 173.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -84.96 112.28 20.45 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.499 0.666 . . . . 0.0 111.941 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.26 126.52 45.27 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.445 1.498 . . . . 0.0 109.212 176.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.2 t70 48.86 32.73 3.9 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.528 1.931 . . . . 0.0 114.325 -162.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.4 70.2 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.63 1.109 . . . . 0.0 115.615 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -105.58 149.2 26.49 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.306 1.842 . . . . 0.0 110.426 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.9 m -78.99 112.16 15.91 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tt -72.44 154.24 7.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 122.044 0.926 . . . . 0.0 112.312 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.1 t -126.14 130.52 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 125.267 1.427 . . . . 0.0 107.84 168.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 m -117.09 137.89 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.437 1.095 . . . . 0.0 111.916 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -153.89 153.79 32.71 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.906 0.882 . . . . 0.0 111.841 158.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.07 142.77 53.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.417 1.087 . . . . 0.0 113.867 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.28 0.96 4.15 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.737 1.215 . . . . 0.0 114.214 -175.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -55.57 -40.32 71.8 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.229 -0.92 . . . . 0.0 110.013 167.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.0 p -61.2 -27.09 68.17 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -79.86 -13.04 59.68 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -172.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -77.26 -151.05 4.22 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.95 0.786 . . . . 0.0 113.956 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -130.76 9.49 4.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.128 1.371 . . . . 0.0 113.834 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 152.86 -10.17 0.57 Allowed Glycine 0 CA--C 1.534 1.243 0 O-C-N 121.266 -0.896 . . . . 0.0 114.673 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 C-N-CA 127.165 2.316 . . . . 0.0 109.288 172.52 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.1 mtp . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 116.742 -1.599 . . . . 0.0 108.066 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.76 91.21 2.56 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.088 1.767 . . . . 0.0 111.207 166.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' A' ' 60' ' ' GLU . 1.6 mp0 -89.09 100.2 13.03 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.2 1.4 . . . . 0.0 113.023 -162.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.4 p -65.15 171.69 3.53 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.353 148.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -61.3 -21.92 64.4 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 120.887 -1.133 . . . . 0.0 113.564 173.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.31 -12.03 72.13 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.377 0.989 . . . . 0.0 114.494 174.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.26 166.29 16.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.346 1.458 . . . . 0.0 112.435 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -139.98 132.51 28.68 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.868 1.267 . . . . 0.0 112.382 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.88 85.08 7.18 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 122.267 1.032 . . . . 0.0 112.097 175.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -144.02 154.23 43.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.294 1.438 . . . . 0.0 111.35 165.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.4 p -126.02 152.71 45.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.55 0.69 . . . . 0.0 112.377 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -81.31 145.16 31.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.541 1.936 . . . . 0.0 110.168 170.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.79 145.67 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 126.433 1.893 . . . . 0.0 109.807 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.97 140.66 8.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 121.951 -0.468 . . . . 0.0 113.475 167.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.04 -16.1 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.354 2.662 . . . . 0.0 112.931 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 3.1 mt -74.96 166.72 23.2 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 122.475 1.131 . . . . 0.0 113.265 -158.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -144.69 179.43 7.31 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 128.849 2.859 . . . . 0.0 107.959 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.1 p90 -53.36 -15.11 0.89 Allowed 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -85.47 -38.53 18.51 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.578 1.151 . . . . 0.0 113.446 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.94 142.4 27.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.866 1.266 . . . . 0.0 112.91 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -148.07 -168.38 3.06 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -59.1 -20.13 50.74 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -56.05 26.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.351 1.06 . . . . 0.0 110.598 168.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.0 -41.89 94.99 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.482 1.039 . . . . 0.0 112.828 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.92 -45.16 94.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.487 1.144 . . . . 0.0 112.458 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.71 -47.67 83.78 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.694 -0.629 . . . . 0.0 111.488 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.02 72.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.035 0.534 . . . . 0.0 111.928 -175.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -28.54 68.96 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.347 -0.846 . . . . 0.0 113.259 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -90.44 -23.57 20.97 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 m -54.81 -26.43 34.8 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -57.07 -36.06 70.11 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.148 0.979 . . . . 0.0 113.071 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -88.9 -26.1 21.76 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.135 1.374 . . . . 0.0 112.912 -173.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.75 163.4 29.44 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 125.441 1.496 . . . . 0.0 110.761 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -68.93 133.04 47.66 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.226 1.013 . . . . 0.0 111.584 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 mm -93.6 133.24 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.093 1.357 . . . . 0.0 111.425 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.99 -26.9 14.86 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.479 1.112 . . . . 0.0 112.753 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -161.57 154.9 21.2 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.328 1.051 . . . . 0.0 111.264 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.05 150.72 35.63 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.042 1.337 . . . . 0.0 109.964 164.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -124.47 132.07 53.49 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.809 1.644 . . . . 0.0 111.406 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -102.33 140.63 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.751 1.22 . . . . 0.0 108.519 160.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.257 10.2 tp -121.44 130.71 74.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 123.757 1.741 . . . . 0.0 112.83 168.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.5 p30 -155.82 167.01 31.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.708 2.403 . . . . 0.0 110.086 -177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -108.38 87.43 2.49 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.054 2.141 . . . . 0.0 109.518 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -67.64 -18.26 64.9 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.068 -1.02 . . . . 0.0 113.532 -172.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -65.98 -25.65 67.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.347 1.059 . . . . 0.0 112.906 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.6 p -124.53 -6.96 7.49 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.419 1.488 . . . . 0.0 114.709 173.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.28 11.84 84.92 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.286 1.422 . . . . 0.0 114.145 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -77.56 128.95 35.0 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.375 1.47 . . . . 0.0 110.604 -178.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 m -88.95 134.9 33.81 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.302 -0.874 . . . . 0.0 110.57 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -68.46 -41.79 79.7 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 119.513 1.052 . . . . 0.0 109.407 163.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.449 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 85.28 14.81 67.98 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.531 1.063 . . . . 0.0 114.435 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -118.13 169.71 9.46 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.555 1.942 . . . . 0.0 110.029 174.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.85 177.88 41.39 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.44 1.019 . . . . 0.0 113.791 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -114.27 158.21 21.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.715 1.206 . . . . 0.0 111.094 166.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.5 p -143.49 136.53 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.461 1.104 . . . . 0.0 110.733 167.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -121.83 129.05 52.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.296 1.438 . . . . 0.0 113.195 -166.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -93.1 -179.87 5.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.909 1.284 . . . . 0.0 113.486 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -105.51 -11.9 16.2 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.1 2.16 . . . . 0.0 114.488 173.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -152.46 159.38 43.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.823 1.649 . . . . 0.0 112.552 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' HG2' ' H ' ' A' ' 3' ' ' GLU . 1.7 mp0 -67.57 -43.97 79.35 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.097 1.359 . . . . 0.0 112.596 -176.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -74.37 -33.19 63.01 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.143 0.977 . . . . 0.0 112.516 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.17 76.46 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.887 0.767 . . . . 0.0 112.033 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.11 -45.31 91.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.604 0.762 . . . . 0.0 111.765 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -73.94 -43.09 59.43 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.802 -0.561 . . . . 0.0 112.51 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -60.58 -36.06 77.61 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.261 1.025 . . . . 0.0 111.627 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.53 -57.63 4.56 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.063 0.545 . . . . 0.0 111.748 173.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.3 mt -51.08 -44.37 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.827 1.251 . . . . 0.0 111.96 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -69.24 -19.64 63.94 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.899 -1.125 . . . . 0.0 113.651 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.9 -3.04 58.2 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 126.903 2.192 . . . . 0.0 115.491 172.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.4 mmt -103.41 -28.22 11.94 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.191 1.797 . . . . 0.0 113.5 -174.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -54.75 97.61 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.101 1.36 . . . . 0.0 114.102 -168.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.44 8.42 66.06 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -65.42 157.23 29.94 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.023 1.911 . . . . 0.0 113.296 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -90.92 112.02 23.7 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.79 0.836 . . . . 0.0 110.415 169.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.65 133.51 52.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.861 1.264 . . . . 0.0 107.979 165.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.5 t0 50.57 28.65 3.56 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -172.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.74 3.93 90.33 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.754 1.645 . . . . 0.0 115.363 -174.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -115.72 127.07 54.86 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.396 1.879 . . . . 0.0 111.029 -170.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.6 m -78.42 110.23 13.3 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.838 0.855 . . . . 0.0 112.987 -170.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.7 pt -80.89 159.23 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.541 1.536 . . . . 0.0 114.403 -168.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.34 135.39 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.077 1.351 . . . . 0.0 108.749 166.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -120.54 130.52 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.905 2.082 . . . . 0.0 112.515 -174.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -156.34 156.58 34.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.587 1.155 . . . . 0.0 112.48 169.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -59.11 153.2 18.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.47 8.99 10.81 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -73.49 -20.97 60.54 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.812 -1.18 . . . . 0.0 113.025 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.6 p -74.25 -19.7 60.41 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 165.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -92.27 -33.1 14.78 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.465 1.506 . . . . 0.0 112.931 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.99 178.61 43.19 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.038 1.304 . . . . 0.0 113.718 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.59 149.83 45.47 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.215 1.406 . . . . 0.0 113.087 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.31 152.9 9.62 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.434 1.016 . . . . 0.0 114.052 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.269 0 CA-C-O 117.01 -1.994 . . . . 0.0 114.97 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 117.599 -1.191 . . . . 0.0 108.497 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.92 85.41 2.1 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 121.86 2.118 . . . . 0.0 111.385 174.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -107.45 88.12 2.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.162 1.385 . . . . 0.0 110.333 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.2 m -88.51 -174.67 4.67 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.923 1.289 . . . . 0.0 112.846 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.47 -20.93 63.7 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.82 -25.34 56.32 Favored Glycine 0 CA--C 1.533 1.202 0 O-C-N 121.201 -0.937 . . . . 0.0 113.921 168.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.59 -167.48 1.76 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.562 1.545 . . . . 0.0 111.809 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.13 135.21 32.27 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.082 -1.011 . . . . 0.0 112.762 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -81.62 72.69 8.66 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 123.864 1.793 . . . . 0.0 108.569 164.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -145.99 133.88 21.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 129.671 3.189 . . . . 0.0 106.905 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -131.28 151.06 51.86 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.939 0.79 . . . . 0.0 113.101 -172.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -71.74 141.67 49.77 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.479 1.512 . . . . 0.0 109.856 165.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -132.42 99.16 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.305 1.442 . . . . 0.0 108.898 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.48 135.41 12.86 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.182 0.896 . . . . 0.0 111.199 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p 169.18 -35.43 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 126.744 2.018 . . . . 0.0 112.163 170.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.06 170.18 2.32 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 124.354 2.026 . . . . 0.0 114.355 -157.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.5 m -155.83 174.57 15.13 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.538 1.935 . . . . 0.0 108.414 -176.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -54.4 -25.96 27.65 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.748 1.158 . . . . 0.0 113.96 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -85.82 -21.64 28.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.222 2.209 . . . . 0.0 113.84 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.46 152.7 18.92 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.109 1.364 . . . . 0.0 112.356 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -148.82 -170.86 3.73 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 166.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.15 -28.48 64.75 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -176.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -65.55 -38.97 91.12 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.116 0.871 . . . . 0.0 112.025 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.22 -44.25 76.56 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.537 1.065 . . . . 0.0 112.962 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -69.15 -39.82 78.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 117.945 0.873 . . . . 0.0 112.006 172.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.32 -45.26 76.34 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.742 1.155 . . . . 0.0 110.897 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.87 -31.21 72.33 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.1 -36.51 61.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.294 0.638 . . . . 0.0 112.269 174.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -83.11 -24.12 32.76 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.6 t -59.77 -23.09 62.98 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.8 p -76.5 -11.3 59.85 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.864 -1.148 . . . . 0.0 113.506 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -95.67 -24.57 16.49 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.807 1.243 . . . . 0.0 112.81 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.88 -177.03 47.08 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.628 1.011 . . . . 0.0 115.628 175.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -74.48 116.05 14.72 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.958 0.903 . . . . 0.0 110.795 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.5 mm -81.22 143.77 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.647 1.179 . . . . 0.0 112.229 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.45 -44.52 6.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.963 1.305 . . . . 0.0 111.941 169.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -146.28 149.47 33.93 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -173.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.53 128.18 21.6 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.919 1.287 . . . . 0.0 109.137 159.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -105.65 153.37 21.91 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.989 1.716 . . . . 0.0 109.72 173.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.07 141.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 125.335 1.454 . . . . 0.0 109.532 167.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 tp -125.22 117.87 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.847 0.859 . . . . 0.0 112.832 169.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -150.15 134.25 17.05 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.714 2.805 . . . . 0.0 106.94 163.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -79.88 100.97 8.29 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 122.22 2.282 . . . . 0.0 112.152 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -10.72 60.21 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 172.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.42 -54.33 6.03 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.775 0.83 . . . . 0.0 110.52 173.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 m -88.48 -5.88 57.97 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.336 1.454 . . . . 0.0 113.451 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.92 34.34 42.93 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 120.404 -1.435 . . . . 0.0 114.099 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -120.29 168.5 11.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.11 1.764 . . . . 0.0 111.546 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 p -141.84 130.95 23.29 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -81.76 -32.12 31.61 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.337 -0.852 . . . . 0.0 111.153 163.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.02 37.51 93.22 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.275 0.941 . . . . 0.0 114.186 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -150.21 176.0 11.26 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.977 1.311 . . . . 0.0 111.666 172.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.6 -173.89 30.8 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.527 1.537 . . . . 0.0 112.236 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -116.34 159.91 21.25 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.295 0.638 . . . . 0.0 112.443 161.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.08 145.1 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.627 1.571 . . . . 0.0 109.883 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 136.33 47.04 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 119.483 1.038 . . . . 0.0 112.519 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -103.08 158.05 16.57 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.549 1.539 . . . . 0.0 112.794 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m -75.95 -27.6 57.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.666 1.186 . . . . 0.0 112.859 170.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -136.89 151.78 49.47 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.89 -51.47 26.01 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.479 1.512 . . . . 0.0 113.621 -168.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -70.68 -26.17 63.31 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.287 -0.883 . . . . 0.0 112.399 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.61 74.15 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.827 1.651 . . . . 0.0 111.843 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.8 tpt -58.39 -41.75 85.56 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.442 0.697 . . . . 0.0 111.487 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -70.56 -43.74 68.87 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.464 0.705 . . . . 0.0 111.846 -178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.07 -28.68 69.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.973 0.509 . . . . 0.0 111.914 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.92 -53.85 16.04 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.547 0.739 . . . . 0.0 111.815 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.5 mt -50.52 -46.96 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.531 1.132 . . . . 0.0 110.984 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.56 -18.4 40.5 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.129 1.372 . . . . 0.0 114.099 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.01 0.94 27.07 Favored Glycine 0 CA--C 1.542 1.748 0 C-N-CA 126.186 1.85 . . . . 0.0 115.844 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mmt -101.69 -33.94 9.67 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.308 1.554 . . . . 0.0 114.781 -170.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -53.5 113.54 1.2 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.481 0.713 . . . . 0.0 110.974 -173.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.97 6.24 89.08 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 117.722 -1.599 . . . . 0.0 116.772 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -58.82 143.89 45.95 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 120.135 1.967 . . . . 0.0 111.119 172.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -86.64 126.81 34.78 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.777 0.717 . . . . 0.0 111.562 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.43 135.68 27.01 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.556 1.942 . . . . 0.0 109.135 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t70 52.94 21.26 1.94 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -175.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.0 5.49 86.02 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.012 1.292 . . . . 0.0 115.344 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -120.36 163.33 18.02 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.724 2.41 . . . . 0.0 110.661 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.4 p -98.64 134.81 41.04 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.798 1.239 . . . . 0.0 112.342 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.5 mt -80.42 141.46 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.045 0.938 . . . . 0.0 112.315 -177.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.5 t -123.76 132.72 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.988 1.715 . . . . 0.0 109.342 165.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.01 137.54 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.015 1.326 . . . . 0.0 113.246 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -158.11 158.62 35.05 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.522 1.129 . . . . 0.0 111.248 162.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.4 150.81 25.36 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.416 0.686 . . . . 0.0 112.265 172.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.35 -3.9 42.94 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -165.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -85.49 -31.78 22.6 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.339 1.427 . . . . 0.0 111.722 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.5 p -63.81 -34.82 78.77 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.062 1.745 . . . . 0.0 112.821 171.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.73 17.16 9.33 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.95 1.7 . . . . 0.0 112.353 166.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.38 177.61 50.34 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 120.776 -1.202 . . . . 0.0 113.574 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 60.42 171.11 0.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.984 1.714 . . . . 0.0 114.966 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.71 -161.18 33.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 121.25 -0.906 . . . . 0.0 113.456 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.25 0 CA-C-O 116.897 -2.057 . . . . 0.0 114.867 177.053 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.99 95.26 10.03 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.245 1.384 . . . . 0.0 108.527 165.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -79.89 82.63 5.95 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 122.336 1.065 . . . . 0.0 111.537 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.7 m -49.59 161.94 0.19 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 128.537 2.735 . . . . 0.0 112.378 163.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.81 -28.68 64.26 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 119.921 -1.737 . . . . 0.0 114.986 -166.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.66 -12.76 56.55 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.879 1.228 . . . . 0.0 116.042 173.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.32 116.37 28.22 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.469 1.134 . . . . 0.0 111.987 -175.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -141.02 166.91 23.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.662 1.185 . . . . 0.0 112.388 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -81.97 78.7 8.64 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.439 -0.788 . . . . 0.0 110.911 -176.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -143.59 156.57 44.62 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 177.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.7 p -142.59 156.7 45.12 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.15 1.38 . . . . 0.0 112.632 -174.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -100.2 139.92 35.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.07 2.148 . . . . 0.0 110.791 174.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 m -135.4 139.28 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.68 1.592 . . . . 0.0 111.951 -173.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.27 124.92 6.23 Favored Glycine 0 N--CA 1.471 1.022 0 CA-C-O 118.846 -0.975 . . . . 0.0 110.902 167.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -171.42 -33.4 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.338 1.455 . . . . 0.0 113.873 -178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 24.8 mt -64.37 156.58 28.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.506 1.522 . . . . 0.0 112.848 -165.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.7 p -122.31 177.2 5.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.705 2.002 . . . . 0.0 109.88 172.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.4 p90 -51.5 -26.71 8.83 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 171.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -102.9 -8.97 20.27 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.58 150.15 26.11 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.154 1.343 . . . . 0.0 110.902 168.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -142.8 -168.29 2.73 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 165.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -55.16 -33.44 62.94 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.283 -0.886 . . . . 0.0 112.631 -176.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -55.85 -40.43 72.85 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.927 1.291 . . . . 0.0 112.197 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.82 -31.1 56.69 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.598 1.094 . . . . 0.0 113.791 -176.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.6 mt -68.46 -55.0 13.32 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 117.94 0.87 . . . . 0.0 109.672 165.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.03 -45.53 64.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.386 1.874 . . . . 0.0 111.802 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.91 -24.02 59.63 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.57 -34.96 27.57 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.066 0.947 . . . . 0.0 112.442 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -84.37 -28.11 27.2 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.694 1.198 . . . . 0.0 113.703 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -59.59 -22.49 61.86 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.26 0.937 . . . . 0.0 112.981 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 m -68.8 -18.55 64.2 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.163 -0.961 . . . . 0.0 113.316 175.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -84.33 -40.52 17.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.127 -0.983 . . . . 0.0 111.926 174.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.86 -170.68 42.01 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.758 0.694 . . . . 0.0 113.794 174.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -61.97 116.47 4.92 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.805 0.842 . . . . 0.0 112.53 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.7 mm -86.13 136.8 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.489 1.116 . . . . 0.0 110.278 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -91.78 -45.22 8.53 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.885 0.874 . . . . 0.0 111.63 173.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.52 155.94 25.08 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.35 149.74 44.53 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.399 0.68 . . . . 0.0 110.642 163.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -104.91 137.28 42.91 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.174 1.39 . . . . 0.0 109.476 171.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.67 144.2 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 124.532 1.133 . . . . 0.0 109.273 158.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.285 10.6 tp -135.44 141.46 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -157.36 165.77 34.89 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 130.878 3.671 . . . . 0.0 107.943 174.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.55 126.44 30.78 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.378 -0.826 . . . . 0.0 110.548 167.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -24.7 59.59 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -78.03 -48.95 14.97 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.586 1.154 . . . . 0.0 112.458 -176.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.6 p -95.26 -12.0 26.97 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.69 -0.23 71.61 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.399 1.476 . . . . 0.0 114.152 -174.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 128.24 35.74 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.538 1.935 . . . . 0.0 112.599 -166.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.2 p -69.81 144.83 52.51 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -175.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -97.63 -39.26 9.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.088 0.955 . . . . 0.0 110.109 162.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 87.78 16.26 60.14 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.882 1.23 . . . . 0.0 115.034 169.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -134.9 166.92 21.88 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.001 1.32 . . . . 0.0 111.713 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.9 175.07 38.45 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.727 1.156 . . . . 0.0 113.217 -175.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.88 154.21 27.89 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.56 1.144 . . . . 0.0 110.191 168.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.2 t -139.57 131.85 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.266 1.426 . . . . 0.0 110.494 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.5 m -121.1 132.28 54.77 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.227 1.811 . . . . 0.0 113.035 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -108.95 159.58 16.7 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.06 2.144 . . . . 0.0 112.0 -176.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -84.37 -27.12 27.9 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -143.43 155.88 44.51 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.519 1.527 . . . . 0.0 111.127 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -72.61 -45.88 56.93 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -166.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -66.49 -26.03 66.98 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.0 -1.062 . . . . 0.0 112.983 -170.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.52 72.15 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.847 1.259 . . . . 0.0 112.618 170.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.7 ttp -60.83 -39.49 89.25 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.679 0.672 . . . . 0.0 111.147 172.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -69.84 -44.8 69.16 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.41 0.684 . . . . 0.0 112.208 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.33 -32.24 73.79 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.432 0.693 . . . . 0.0 111.482 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.85 -60.05 3.77 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.656 171.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.47 -39.63 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 O-C-N 120.797 -1.19 . . . . 0.0 112.79 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.3 -28.38 69.69 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.257 1.023 . . . . 0.0 112.929 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.32 -43.22 5.33 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.183 -0.948 . . . . 0.0 114.292 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.4 mmt -69.06 -28.0 66.14 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.078 1.751 . . . . 0.0 115.616 -161.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -55.75 92.23 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.831 1.252 . . . . 0.0 113.974 -171.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.77 8.11 58.4 Favored Glycine 0 CA--C 1.541 1.705 0 C-N-CA 126.418 1.961 . . . . 0.0 116.522 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -73.31 155.94 38.94 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.711 1.756 . . . . 0.0 114.946 -172.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -80.74 101.89 9.59 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.623 1.569 . . . . 0.0 110.919 164.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 tp -129.65 129.5 44.38 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.245 1.418 . . . . 0.0 110.92 -172.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.23 27.9 3.82 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.38 12.71 84.02 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.784 1.183 . . . . 0.0 114.842 -176.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -120.91 155.3 34.49 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.256 2.223 . . . . 0.0 112.035 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.7 p -78.7 111.38 14.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.217 0.607 . . . . 0.0 110.94 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.7 tt -98.1 140.11 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 122.171 0.986 . . . . 0.0 113.625 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 78.0 t -119.58 141.88 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.73 2.012 . . . . 0.0 108.318 172.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.53 141.77 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.934 1.294 . . . . 0.0 113.176 -176.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -152.43 157.14 40.78 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.758 0.823 . . . . 0.0 111.41 155.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.06 153.17 18.4 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.374 1.07 . . . . 0.0 112.915 172.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.38 21.77 7.19 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.365 1.466 . . . . 0.0 113.276 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -90.97 -24.22 20.19 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.713 1.205 . . . . 0.0 113.253 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.2 p -60.08 -15.49 23.62 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 170.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -68.48 -8.44 41.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.658 2.383 . . . . 0.0 113.946 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.36 151.91 51.51 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 123.729 0.68 . . . . 0.0 112.934 172.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -146.39 9.44 1.07 Allowed 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.73 -165.25 54.24 Favored Glycine 0 CA--C 1.536 1.346 0 O-C-N 120.686 -1.259 . . . . 0.0 114.701 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 C-N-CA 126.012 1.767 . . . . 0.0 113.156 171.074 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 mmt . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.03 93.99 2.99 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.853 0.861 . . . . 0.0 112.195 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -79.65 79.59 6.13 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 122.291 1.044 . . . . 0.0 112.35 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -97.91 170.22 9.1 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.631 1.572 . . . . 0.0 113.0 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -56.07 -25.14 44.09 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -166.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.86 -11.41 55.05 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.855 1.217 . . . . 0.0 115.236 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.5 55.9 1.09 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.645 1.578 . . . . 0.0 111.91 -170.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -125.69 165.51 18.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.492 1.517 . . . . 0.0 113.069 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -90.6 76.03 6.58 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.254 -0.904 . . . . 0.0 111.788 -162.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.2 ttp-105 -136.94 140.71 42.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.403 1.481 . . . . 0.0 111.607 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -142.33 155.99 45.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.526 1.13 . . . . 0.0 113.879 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -81.95 149.69 28.07 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.654 2.781 . . . . 0.0 112.657 176.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.57 132.47 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.375 1.87 . . . . 0.0 112.28 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.29 121.1 2.9 Favored Glycine 0 CA--C 1.54 1.651 0 N-CA-C 115.365 0.906 . . . . 0.0 115.365 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.67 -21.09 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 127.748 2.419 . . . . 0.0 113.918 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 17.4 mt -75.58 163.39 27.4 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.982 1.313 . . . . 0.0 114.248 -148.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -106.04 171.08 7.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.291 1.836 . . . . 0.0 111.41 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -54.27 -14.29 1.12 Allowed 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.55 -1.343 . . . . 0.0 114.281 163.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -115.21 -20.46 10.38 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.37 138.53 38.58 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 120.69 1.586 . . . . 0.0 110.007 174.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -147.94 -170.01 3.47 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.38 -21.22 3.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.352 2.261 . . . . 0.0 115.287 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -81.91 -37.08 27.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.537 1.135 . . . . 0.0 113.599 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.8 -39.57 39.12 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.514 1.054 . . . . 0.0 112.272 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 mt -54.52 -51.39 65.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.563 0.745 . . . . 0.0 111.765 165.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.52 -42.03 70.39 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.667 0.787 . . . . 0.0 112.526 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.33 -43.17 82.24 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.292 0.951 . . . . 0.0 113.117 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.36 81.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.69 0.796 . . . . 0.0 112.092 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -74.38 -24.39 59.13 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.385 -0.822 . . . . 0.0 112.629 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.6 m -61.88 -18.01 58.63 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.225 -0.922 . . . . 0.0 113.3 173.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 t -57.83 -21.35 41.9 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.81 -1.181 . . . . 0.0 113.467 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.12 -33.67 10.69 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.69 -164.9 32.33 Favored Glycine 0 N--CA 1.475 1.238 0 CA-C-N 119.229 0.922 . . . . 0.0 113.121 -174.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -92.56 145.14 24.67 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.597 1.199 . . . . 0.0 112.963 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.4 mm -96.67 141.06 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.837 1.655 . . . . 0.0 111.969 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.3 mt -95.26 -42.71 8.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.964 1.306 . . . . 0.0 111.709 168.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -169.92 159.27 7.72 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.94 152.05 39.6 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.415 1.486 . . . . 0.0 112.063 173.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 60.4 tptt -118.83 145.11 45.92 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.241 1.816 . . . . 0.0 110.953 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.1 145.72 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.426 1.491 . . . . 0.0 108.988 161.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.6 tp -119.36 111.06 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 123.02 1.39 . . . . 0.0 112.133 163.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -154.44 96.71 1.94 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.601 1.96 . . . . 0.0 108.577 172.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -81.78 116.91 21.69 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.493 0.588 . . . . 0.0 111.142 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -77.54 -12.28 59.95 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 174.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -75.1 -59.33 2.79 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.03 0.832 . . . . 0.0 110.801 175.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.4 p -92.33 -7.32 48.23 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.1 25.72 47.49 Favored Glycine 0 N--CA 1.473 1.15 0 N-CA-C 115.934 1.134 . . . . 0.0 115.934 169.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -102.1 90.33 3.91 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.326 1.45 . . . . 0.0 111.555 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 m -78.18 100.01 6.45 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 163.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -79.15 -28.28 42.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.603 0.761 . . . . 0.0 112.441 -174.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 76.57 23.17 70.93 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.797 0.713 . . . . 0.0 114.876 171.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -141.51 172.38 12.76 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.563 1.145 . . . . 0.0 112.168 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.64 -177.54 41.39 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.547 1.07 . . . . 0.0 113.631 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.424 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 94.4 m-85 -116.1 158.95 22.41 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.142 1.377 . . . . 0.0 111.569 169.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -145.66 141.87 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.698 1.599 . . . . 0.0 110.641 172.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -133.57 137.57 45.58 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.534 1.534 . . . . 0.0 112.941 -167.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -114.38 153.8 29.2 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.254 1.821 . . . . 0.0 113.988 -172.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.8 p -74.85 -10.41 59.47 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -143.99 156.28 44.34 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.356 1.863 . . . . 0.0 113.034 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -76.65 -43.06 39.69 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.836 1.254 . . . . 0.0 113.323 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -69.88 -36.27 75.32 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.494 -0.754 . . . . 0.0 111.883 -172.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.21 86.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.809 0.843 . . . . 0.0 112.677 168.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 47.7 ttp -62.93 -43.04 99.87 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.643 0.656 . . . . 0.0 111.764 175.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -72.37 -42.22 65.51 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.538 -0.727 . . . . 0.0 112.108 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.59 -34.96 76.52 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.367 0.667 . . . . 0.0 111.724 172.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.69 -58.49 6.72 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.623 0.647 . . . . 0.0 110.781 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.4 mm -50.63 -41.79 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.656 1.183 . . . . 0.0 112.736 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.28 -15.59 63.34 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -114.1 -16.48 7.81 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.833 1.206 . . . . 0.0 115.555 170.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.522 ' HB3' HG11 ' A' ' 82' ' ' VAL . 11.8 mmt -77.39 -26.2 51.58 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -171.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -58.26 100.75 0.07 Allowed 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 120.481 1.491 . . . . 0.0 110.833 174.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.32 7.19 70.03 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.745 1.64 . . . . 0.0 117.061 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -70.74 141.23 51.5 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 120.949 2.374 . . . . 0.0 112.594 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.33 97.04 9.74 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -173.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mp -110.97 125.57 53.84 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.999 1.32 . . . . 0.0 111.301 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t0 48.57 36.54 7.69 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.268 1.427 . . . . 0.0 113.373 -170.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.98 0.53 89.01 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.027 1.775 . . . . 0.0 115.17 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -118.86 124.66 47.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.958 1.703 . . . . 0.0 111.816 -171.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.6 m -66.76 113.94 5.25 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.262 1.425 . . . . 0.0 110.871 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.0 tt -84.52 159.94 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.184 0.993 . . . . 0.0 113.547 -167.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -123.36 138.63 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.34 1.856 . . . . 0.0 108.22 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.522 HG11 ' HB3' ' A' ' 70' ' ' MET . 4.8 m -138.35 142.47 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -170.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -153.74 161.28 42.24 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.595 1.158 . . . . 0.0 111.186 161.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.94 153.79 20.36 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.852 -1.155 . . . . 0.0 113.392 174.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.78 22.26 6.34 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.748 1.619 . . . . 0.0 112.947 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -90.5 -34.43 15.57 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.577 1.151 . . . . 0.0 111.404 175.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.3 m -69.16 -16.9 63.74 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.953 1.301 . . . . 0.0 113.291 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -65.72 -32.31 73.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.825 1.65 . . . . 0.0 113.463 161.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.28 -149.4 49.93 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 123.919 0.771 . . . . 0.0 112.558 -165.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -135.43 -25.69 1.3 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 170.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.95 -162.7 23.94 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 125.394 1.473 . . . . 0.0 113.454 169.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.346 0 C-N-CA 125.524 1.535 . . . . 0.0 113.882 178.34 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtm . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 117.245 -1.36 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.7 89.75 2.87 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 120.569 1.531 . . . . 0.0 110.148 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -84.51 74.87 10.33 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.479 1.511 . . . . 0.0 113.341 -168.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.5 m -86.45 126.68 34.58 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.287 -0.883 . . . . 0.0 111.424 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -81.0 -70.16 0.55 Allowed 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.918 -1.114 . . . . 0.0 108.372 159.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.85 -30.6 4.79 Favored Glycine 0 CA--C 1.541 1.695 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 132.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.04 169.4 11.7 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.991 2.916 . . . . 0.0 111.156 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.98 154.14 43.32 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.247 1.419 . . . . 0.0 113.236 -173.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.48 80.52 3.48 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.83 1.652 . . . . 0.0 111.25 171.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.2 ttm105 -146.94 149.41 33.15 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.315 1.846 . . . . 0.0 111.825 -177.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.91 155.89 49.17 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.507 0.723 . . . . 0.0 112.907 170.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -76.35 149.86 36.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.54 1.936 . . . . 0.0 111.931 165.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.16 129.9 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.41 1.884 . . . . 0.0 110.488 172.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.36 122.32 5.01 Favored Glycine 0 N--CA 1.476 1.343 0 C-N-CA 123.695 0.664 . . . . 0.0 112.929 172.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 p -176.91 -24.46 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.185 1.794 . . . . 0.0 115.17 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 19.3 mt -66.33 167.41 10.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.503 1.521 . . . . 0.0 114.088 -161.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -143.67 177.6 8.39 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.589 1.556 . . . . 0.0 112.078 -163.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -50.65 -22.07 1.87 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 167.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -113.75 -19.76 11.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.601 1.561 . . . . 0.0 114.667 -173.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.17 153.76 20.27 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.596 1.158 . . . . 0.0 112.434 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.89 -173.42 3.98 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.141 0.976 . . . . 0.0 112.797 168.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -46.0 -35.74 5.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.861 1.264 . . . . 0.0 113.274 162.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -59.75 -31.52 69.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.614 1.165 . . . . 0.0 114.115 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.69 -32.14 28.05 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.46 1.029 . . . . 0.0 113.425 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.43 -42.9 87.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.829 0.851 . . . . 0.0 111.003 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -54.06 -49.99 67.75 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.925 1.69 . . . . 0.0 111.74 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.19 90.15 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.723 -0.611 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.85 69.11 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -101.11 -20.65 15.25 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -174.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 m -57.13 -17.76 12.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 -167.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.8 p -84.63 -12.57 53.72 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 120.331 1.423 . . . . 0.0 114.751 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -86.72 -48.24 8.43 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.055 1.342 . . . . 0.0 110.134 169.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.39 150.99 20.33 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.353 0.977 . . . . 0.0 113.429 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -75.57 127.76 33.79 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.859 0.863 . . . . 0.0 111.103 173.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 mm -59.69 134.07 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -164.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tt -87.03 -44.85 11.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.515 1.526 . . . . 0.0 110.036 168.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -161.04 148.91 15.63 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.856 1.262 . . . . 0.0 110.031 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.52 139.55 35.09 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.482 0.658 . . . . 0.0 111.651 159.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 11.8 tppt? -100.96 140.0 35.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.503 1.521 . . . . 0.0 108.632 176.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.71 134.6 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 124.044 0.938 . . . . 0.0 109.913 169.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.459 HG23 ' HB2' ' A' ' 50' ' ' ARG . 6.0 tp -113.89 117.09 54.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-O 122.6 1.19 . . . . 0.0 112.192 174.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -158.07 124.65 4.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.324 2.249 . . . . 0.0 110.176 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -96.1 93.69 7.1 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.186 0.903 . . . . 0.0 110.217 165.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -63.88 -29.29 70.49 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -173.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.95 -48.52 73.07 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.799 1.24 . . . . 0.0 111.835 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.6 p -96.7 -4.24 41.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.489 1.116 . . . . 0.0 112.852 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.02 20.86 77.2 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.604 1.097 . . . . 0.0 114.065 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -84.77 71.52 10.84 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.068 2.147 . . . . 0.0 110.936 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.89 104.26 9.4 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.883 0.873 . . . . 0.0 109.999 170.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.459 ' HB2' HG23 ' A' ' 41' ' ' ILE . 4.0 mmp_? -69.34 -25.68 64.32 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.261 1.025 . . . . 0.0 112.122 177.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 84.72 17.64 63.28 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 115.42 0.928 . . . . 0.0 115.42 163.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -140.32 168.61 19.39 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.231 -1.158 . . . . 0.0 112.294 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.36 -177.87 37.38 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.639 1.114 . . . . 0.0 114.22 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.414 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 34.9 m-85 -113.38 155.19 25.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.923 1.289 . . . . 0.0 110.901 165.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.65 144.5 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.29 1.436 . . . . 0.0 109.561 168.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.8 t -142.2 147.5 36.65 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.059 1.343 . . . . 0.0 113.188 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -130.69 154.91 47.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.56 1.944 . . . . 0.0 110.901 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 p -64.92 0.23 1.28 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -136.92 147.03 46.15 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.841 1.2 . . . . 0.0 112.427 171.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -78.02 -38.85 43.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.214 1.406 . . . . 0.0 112.4 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -58.74 -50.74 72.81 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.014 0.926 . . . . 0.0 112.088 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -32.27 72.03 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.7 tpt -61.6 -41.55 97.59 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.727 0.694 . . . . 0.0 110.961 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -78.22 -33.52 49.83 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.883 0.873 . . . . 0.0 112.809 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.86 -33.63 70.67 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.894 0.878 . . . . 0.0 111.964 170.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.37 -49.65 21.81 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.778 0.831 . . . . 0.0 112.366 173.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 71.4 mt -50.2 -41.16 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 125.204 1.402 . . . . 0.0 111.833 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -57.64 -43.06 84.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.652 0.781 . . . . 0.0 112.747 177.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.43 -37.95 39.8 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 121.777 -0.577 . . . . 0.0 113.948 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.1 mmt -62.98 -32.61 74.0 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.215 1.406 . . . . 0.0 113.782 -175.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -46.62 99.82 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.555 1.542 . . . . 0.0 112.736 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.67 20.41 79.62 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-O 118.177 -1.346 . . . . 0.0 115.942 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -81.38 156.82 25.25 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.856 1.828 . . . . 0.0 113.12 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.38 120.13 21.96 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.424 -0.798 . . . . 0.0 110.586 161.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.13 129.12 33.38 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.723 2.009 . . . . 0.0 109.256 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.3 t70 52.88 23.42 2.81 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.378 -0.826 . . . . 0.0 112.584 -163.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.91 -13.67 23.75 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 126.413 1.959 . . . . 0.0 115.685 -169.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -88.14 148.35 24.47 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.025 2.13 . . . . 0.0 110.869 -174.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.7 m -80.93 109.72 15.78 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.694 -0.629 . . . . 0.0 110.652 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.9 tt -90.0 152.9 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.048 0.939 . . . . 0.0 112.658 -173.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.0 t -131.43 139.98 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.838 1.655 . . . . 0.0 108.345 171.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.54 142.55 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.525 1.53 . . . . 0.0 112.496 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -149.95 152.98 35.84 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.365 0.603 . . . . 0.0 112.352 162.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.88 147.95 41.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.825 1.25 . . . . 0.0 113.359 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.94 -10.95 18.57 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -172.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -63.31 -25.47 68.32 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.779 -1.2 . . . . 0.0 112.868 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 p -52.15 -26.56 11.69 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 168.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -86.94 -16.69 35.14 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.091 1.356 . . . . 0.0 112.881 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -86.24 -50.04 4.0 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.331 1.443 . . . . 0.0 112.79 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.6 t80 55.1 23.13 5.01 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.745 1.618 . . . . 0.0 114.759 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.74 -152.6 51.65 Favored Glycine 0 CA--C 1.534 1.236 0 O-C-N 121.208 -0.932 . . . . 0.0 113.978 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.348 0 C-N-CA 125.564 1.554 . . . . 0.0 112.797 178.021 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ppp? . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.582 0.229 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.43 99.9 6.55 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.234 1.014 . . . . 0.0 111.998 -170.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -75.13 83.47 2.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.072 1.349 . . . . 0.0 110.328 166.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.7 m -66.6 165.86 13.91 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.258 1.423 . . . . 0.0 112.246 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -67.21 -18.3 65.19 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 119.55 -1.968 . . . . 0.0 113.796 -177.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.59 -18.96 69.51 Favored Glycine 0 CA--C 1.541 1.717 0 N-CA-C 115.759 1.064 . . . . 0.0 115.759 169.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.9 122.34 6.75 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.14 1.47 . . . . 0.0 113.971 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.12 151.53 49.09 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.399 1.48 . . . . 0.0 110.236 169.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -117.64 78.99 1.29 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.834 0.826 . . . . 0.0 111.71 -166.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.61 155.09 42.21 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 170.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.2 p -132.23 151.18 51.94 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.865 1.266 . . . . 0.0 112.099 176.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -77.49 143.54 38.4 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.024 1.33 . . . . 0.0 110.016 165.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 t -141.35 140.36 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.036 1.734 . . . . 0.0 109.328 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.61 127.18 1.92 Allowed Glycine 0 N--CA 1.472 1.083 0 O-C-N 120.645 -1.284 . . . . 0.0 114.661 168.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -166.44 3.48 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.997 2.119 . . . . 0.0 113.27 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 6.5 mt -96.95 166.47 11.59 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 123.437 1.589 . . . . 0.0 112.899 -154.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -148.54 179.37 7.86 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.833 1.653 . . . . 0.0 110.359 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -46.02 -27.07 0.84 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 163.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.85 -40.52 22.34 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 120.038 1.29 . . . . 0.0 113.319 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.94 151.1 21.87 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.106 0.963 . . . . 0.0 112.776 -174.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -150.04 -169.8 3.47 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.2 -0.938 . . . . 0.0 113.055 169.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -52.38 -34.11 46.36 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.626 1.103 . . . . 0.0 113.319 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -61.56 -30.32 70.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.829 0.852 . . . . 0.0 112.367 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.32 -37.45 36.49 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 125.051 1.31 . . . . 0.0 113.575 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD21 HD21 ' A' ' 16' ' ' LEU . 2.7 mm? -71.02 -45.39 63.99 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.474 1.137 . . . . 0.0 111.231 171.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.94 -35.69 64.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.923 1.289 . . . . 0.0 111.304 176.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.12 -36.95 39.8 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.35 -26.08 59.92 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -95.67 -23.28 17.08 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.57 1.148 . . . . 0.0 113.595 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 p -65.06 -16.16 63.15 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 p -68.48 -16.77 64.01 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.808 -1.183 . . . . 0.0 114.069 169.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -96.6 -26.71 15.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.754 1.221 . . . . 0.0 114.101 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.05 -167.35 39.44 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 114.916 0.726 . . . . 0.0 114.916 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -94.98 118.78 32.39 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.281 1.433 . . . . 0.0 111.06 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.2 mm -70.74 144.39 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.712 1.205 . . . . 0.0 112.598 -171.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -99.76 -49.4 4.38 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.409 1.484 . . . . 0.0 111.179 168.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -155.02 152.37 29.56 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.574 1.15 . . . . 0.0 111.567 -175.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.58 119.56 9.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.39 1.476 . . . . 0.0 108.655 166.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.91 142.1 31.84 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.291 1.436 . . . . 0.0 109.517 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.52 139.41 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 125.303 1.441 . . . . 0.0 109.578 166.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.514 HG23 ' HB2' ' A' ' 50' ' ' ARG . 19.9 tt -126.94 139.15 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.2 p30 -155.54 170.71 21.35 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.312 2.645 . . . . 0.0 110.726 -175.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -131.52 100.21 5.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.317 1.847 . . . . 0.0 109.688 170.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -72.66 -12.62 61.11 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -172.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.84 -39.95 72.67 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.647 1.112 . . . . 0.0 110.989 172.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.0 p -96.85 -2.21 44.46 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.784 1.233 . . . . 0.0 112.913 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.83 14.36 67.61 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.305 1.431 . . . . 0.0 114.173 -178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -90.21 113.83 25.71 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.862 1.265 . . . . 0.0 111.231 -168.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 m -77.96 125.51 29.45 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.358 -0.838 . . . . 0.0 109.131 166.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.514 ' HB2' HG23 ' A' ' 41' ' ' ILE . 18.2 mtp180 -70.37 -33.8 71.86 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.227 0.921 . . . . 0.0 111.244 -177.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.459 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 91.7 14.94 56.01 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.783 1.182 . . . . 0.0 114.602 172.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -128.43 167.95 16.3 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.671 1.988 . . . . 0.0 111.388 -174.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.46 165.66 37.45 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.16 1.362 . . . . 0.0 113.144 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -113.91 133.43 55.46 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.073 0.949 . . . . 0.0 109.134 167.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.4 t -127.23 140.1 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.348 1.059 . . . . 0.0 110.555 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.6 t -140.03 149.07 42.73 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.318 1.447 . . . . 0.0 112.479 -172.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.43 150.91 30.16 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.083 1.753 . . . . 0.0 110.766 -161.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.1 m -80.89 -7.83 59.58 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -162.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -142.43 154.4 44.55 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.178 1.354 . . . . 0.0 113.57 -174.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -73.0 -42.95 62.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.981 0.912 . . . . 0.0 113.318 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -63.44 -34.69 78.3 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.273 -0.892 . . . . 0.0 111.376 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.92 -47.87 78.83 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.665 0.786 . . . . 0.0 111.903 172.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.4 -45.94 84.0 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.606 0.762 . . . . 0.0 111.604 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -80.61 -35.56 33.91 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -169.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -72.86 -31.55 64.82 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.87 0.759 . . . . 0.0 111.327 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.04 -57.72 7.12 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.292 0.497 . . . . 0.0 110.865 171.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.4 mm -52.86 -40.15 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.205 1.002 . . . . 0.0 112.225 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -63.37 -23.89 67.61 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 173.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.39 -12.12 34.18 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.038 1.304 . . . . 0.0 115.966 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.9 mmt -95.31 -35.79 11.65 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.428 1.614 . . . . 0.0 114.956 -168.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -64.88 109.79 2.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.665 1.12 . . . . 0.0 110.97 -172.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.46 19.62 71.0 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 118.303 -1.276 . . . . 0.0 115.405 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -65.7 -172.85 0.13 Allowed 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.802 1.801 . . . . 0.0 111.436 169.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -114.02 140.88 48.08 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.117 -0.989 . . . . 0.0 109.871 154.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.66 135.4 26.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.716 0.807 . . . . 0.0 110.795 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.8 t70 48.36 26.46 1.12 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.617 1.167 . . . . 0.0 113.854 -169.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.34 13.99 79.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 126.091 1.805 . . . . 0.0 115.762 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -124.17 164.11 20.16 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.171 2.189 . . . . 0.0 110.886 -170.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.5 p -82.86 121.48 26.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.357 0.663 . . . . 0.0 111.735 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.9 tt -104.55 147.97 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.209 1.004 . . . . 0.0 113.157 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.9 t -126.25 144.95 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.814 2.046 . . . . 0.0 109.344 170.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.0 m -136.56 146.93 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.148 1.379 . . . . 0.0 112.184 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -155.83 162.07 40.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.492 0.717 . . . . 0.0 112.153 152.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -59.73 152.19 23.34 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.106 -0.996 . . . . 0.0 113.2 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.32 29.92 7.03 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.135 1.774 . . . . 0.0 112.241 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -97.7 -44.09 6.91 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.968 1.707 . . . . 0.0 112.755 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.6 m -64.28 -42.1 96.59 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.585 1.084 . . . . 0.0 112.564 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -81.09 -40.37 24.2 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.267 1.827 . . . . 0.0 112.195 174.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.91 -177.05 39.03 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.048 0.833 . . . . 0.0 114.779 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -87.66 150.89 23.36 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.749 1.62 . . . . 0.0 112.135 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.63 -142.94 3.52 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.619 1.104 . . . . 0.0 113.595 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.245 0 CA-C-O 117.174 -1.904 . . . . 0.0 114.45 -177.817 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 119.409 -0.329 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.97 91.82 3.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.98 0.912 . . . . 0.0 112.002 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.16 87.91 6.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.928 1.691 . . . . 0.0 109.136 171.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -72.48 -179.23 2.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.38 1.472 . . . . 0.0 114.509 -170.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -67.27 -20.56 65.67 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.522 -1.361 . . . . 0.0 111.118 169.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.07 -55.88 7.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 121.443 -0.786 . . . . 0.0 112.212 164.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.42 51.48 2.24 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.489 1.116 . . . . 0.0 112.684 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -92.22 161.19 14.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.09 1.756 . . . . 0.0 113.339 -173.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -78.25 79.71 4.69 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.855 -1.153 . . . . 0.0 110.991 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -144.9 145.25 31.49 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.313 2.245 . . . . 0.0 111.87 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.26 159.56 41.86 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.514 1.126 . . . . 0.0 113.579 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -79.33 150.73 31.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.202 1.801 . . . . 0.0 111.862 170.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.6 m -138.08 115.78 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.645 1.578 . . . . 0.0 110.844 170.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.94 123.2 7.37 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.211 0.91 . . . . 0.0 111.694 172.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 176.22 -27.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.544 1.537 . . . . 0.0 114.6 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.69 165.99 18.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 122.334 1.064 . . . . 0.0 113.455 -156.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.9 p -151.48 177.57 10.17 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.922 1.289 . . . . 0.0 111.005 -167.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -50.04 -20.57 0.99 Allowed 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 162.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -102.97 -36.07 8.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.132 1.773 . . . . 0.0 114.22 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.58 147.15 24.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.181 0.992 . . . . 0.0 111.517 -174.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.79 -174.55 4.65 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.0 -35.05 77.38 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.507 -0.746 . . . . 0.0 112.923 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -61.79 -46.6 88.83 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.362 1.065 . . . . 0.0 112.881 -176.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.89 -40.93 84.28 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 118.303 0.501 . . . . 0.0 113.065 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.27 -42.33 75.68 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.48 0.712 . . . . 0.0 112.218 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -57.19 -41.75 79.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.549 1.14 . . . . 0.0 111.693 173.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.41 78.49 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.27 72.47 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -72.49 -33.31 66.86 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.079 -1.013 . . . . 0.0 111.401 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -57.89 -20.9 40.36 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 174.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -66.77 -25.37 66.45 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 173.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -87.99 -36.08 17.25 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.214 0.915 . . . . 0.0 113.232 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.67 -161.19 29.04 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 123.797 0.713 . . . . 0.0 113.292 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.18 129.07 35.47 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -171.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.4 tp -107.93 149.5 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.573 . . . . 0.0 112.892 -165.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -117.16 -60.71 1.8 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.183 0.993 . . . . 0.0 113.369 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.75 161.49 38.48 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.072 -1.642 . . . . 0.0 113.109 -177.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -137.49 148.15 45.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 122.88 0.472 . . . . 0.0 111.903 162.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -106.27 136.5 45.88 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.739 2.016 . . . . 0.0 110.555 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.24 138.57 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.152 1.381 . . . . 0.0 109.547 166.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.0 tp -120.15 110.14 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 122.15 0.976 . . . . 0.0 113.386 166.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -150.42 119.77 6.86 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.846 1.259 . . . . 0.0 111.328 163.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -90.17 126.92 35.98 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.191 -0.943 . . . . 0.0 112.67 173.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -17.48 53.89 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 168.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -84.46 -57.18 3.25 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.093 1.357 . . . . 0.0 111.898 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.2 p -91.92 -1.01 57.5 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.767 1.227 . . . . 0.0 112.651 174.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.23 -7.08 61.46 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 126.068 1.794 . . . . 0.0 116.522 170.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -66.6 96.67 0.4 Allowed 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 120.203 2.001 . . . . 0.0 114.06 -174.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -84.59 83.72 7.92 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.583 1.553 . . . . 0.0 109.793 167.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -68.04 -32.04 72.11 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.826 1.25 . . . . 0.0 113.302 -170.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.92 32.61 60.74 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 167.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -138.62 169.82 17.11 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.929 1.291 . . . . 0.0 110.611 168.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.82 167.84 28.75 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.241 0.925 . . . . 0.0 112.63 173.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -113.69 137.73 51.21 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.197 0.999 . . . . 0.0 109.833 166.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -129.34 143.7 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.467 1.507 . . . . 0.0 111.569 -175.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m -132.79 142.05 48.8 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.531 1.532 . . . . 0.0 111.611 -164.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -143.65 152.84 41.86 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.279 1.432 . . . . 0.0 110.65 -168.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.1 m -96.0 -17.8 20.72 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -169.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.46 152.7 40.01 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 122.574 1.178 . . . . 0.0 113.418 -170.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -82.4 -39.17 23.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.368 1.467 . . . . 0.0 113.981 -166.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -66.63 -38.34 86.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.546 0.612 . . . . 0.0 111.017 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.09 74.4 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.607 0.763 . . . . 0.0 112.262 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.3 ttt -62.42 -30.43 71.22 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -85.17 -52.79 5.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.501 1.046 . . . . 0.0 112.71 171.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -54.96 -39.78 69.29 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.816 0.846 . . . . 0.0 112.409 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.04 -56.94 5.09 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 123.56 0.744 . . . . 0.0 111.941 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.6 mm -57.58 -37.44 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.339 1.427 . . . . 0.0 112.227 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -70.05 -38.42 75.82 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.39 -32.64 24.78 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.787 1.184 . . . . 0.0 115.249 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -39.61 94.85 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.026 2.13 . . . . 0.0 111.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -47.56 106.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.241 1.016 . . . . 0.0 113.221 -173.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.82 18.79 74.47 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 118.5 -1.166 . . . . 0.0 115.408 173.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -74.17 140.52 45.21 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.049 1.924 . . . . 0.0 112.496 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -84.72 114.68 22.22 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.034 1.334 . . . . 0.0 110.017 173.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 tp -149.1 133.11 17.17 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.454 1.102 . . . . 0.0 110.697 -166.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 51.33 20.3 0.93 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -169.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.86 15.58 81.03 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.003 -1.685 . . . . 0.0 114.477 -170.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -112.05 178.96 4.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.898 2.879 . . . . 0.0 109.136 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.8 m -119.08 112.11 19.13 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.134 0.574 . . . . 0.0 110.017 166.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.3 pt -76.19 126.8 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 122.243 1.02 . . . . 0.0 111.663 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.6 t -122.33 130.31 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 125.635 1.574 . . . . 0.0 108.651 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.4 m -121.72 140.85 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.373 1.069 . . . . 0.0 113.695 -168.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -156.23 166.71 32.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.387 1.475 . . . . 0.0 111.677 157.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -59.75 154.19 18.75 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.869 1.668 . . . . 0.0 114.277 176.839 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.68 10.11 12.36 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.44 -12.97 60.0 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -171.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.9 m -74.15 -15.56 61.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.831 1.252 . . . . 0.0 113.704 171.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -95.52 -6.37 40.65 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -162.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -74.96 -179.57 43.38 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.83 1.681 . . . . 0.0 115.587 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -143.02 138.14 29.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.292 2.237 . . . . 0.0 112.434 -173.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.79 -21.78 13.77 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.399 1.476 . . . . 0.0 116.526 168.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.257 0 CA-C-O 117.481 -1.733 . . . . 0.0 114.0 176.522 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.07 111.41 8.0 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.205 1.802 . . . . 0.0 111.13 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -107.18 84.4 1.97 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.516 1.526 . . . . 0.0 111.832 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m -65.37 176.87 1.25 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.631 0.772 . . . . 0.0 111.104 166.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -53.13 -30.24 35.7 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -171.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.66 -12.66 77.99 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 126.284 1.897 . . . . 0.0 115.685 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.97 154.29 43.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.704 1.602 . . . . 0.0 113.04 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -141.26 165.85 26.4 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.427 1.491 . . . . 0.0 113.423 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -80.51 79.89 7.04 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.796 -1.19 . . . . 0.0 111.041 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -139.98 136.71 34.05 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.737 1.615 . . . . 0.0 111.222 -173.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 p -147.68 156.94 43.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.752 0.821 . . . . 0.0 112.92 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -75.64 146.83 39.99 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.808 1.643 . . . . 0.0 111.907 171.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.63 109.55 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.902 1.681 . . . . 0.0 110.408 172.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.03 121.66 6.99 Favored Glycine 0 N--CA 1.471 1.031 0 CA-C-O 119.247 -0.752 . . . . 0.0 112.432 174.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.9 p -178.8 -20.59 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.23 1.812 . . . . 0.0 113.95 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 mt -64.76 166.8 8.33 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 122.509 1.147 . . . . 0.0 112.613 -165.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -132.47 167.34 20.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.959 2.104 . . . . 0.0 109.308 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -50.65 -5.42 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -128.01 -6.95 5.48 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.563 1.545 . . . . 0.0 114.876 169.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.78 145.05 29.75 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.541 1.518 . . . . 0.0 109.187 172.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.21 -168.75 3.19 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 173.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -58.07 -20.04 36.49 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -61.07 -47.61 85.55 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.501 1.12 . . . . 0.0 111.61 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.8 -44.1 48.7 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 123.528 0.585 . . . . 0.0 112.553 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.7 mt -54.28 -48.38 71.3 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.462 0.705 . . . . 0.0 112.226 172.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -53.1 -43.0 66.5 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.988 0.915 . . . . 0.0 112.302 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.03 -35.37 56.99 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.5 -39.16 74.31 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.332 0.515 . . . . 0.0 111.802 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -79.98 -26.3 40.01 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.6 m -55.59 -25.06 36.37 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 171.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 m -66.93 -26.66 66.96 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -90.72 -23.65 20.64 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.6 -148.35 9.35 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.391 0.996 . . . . 0.0 113.159 174.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.29 107.7 19.31 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.699 -0.883 . . . . 0.0 112.151 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 tp -68.53 143.85 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.147 1.379 . . . . 0.0 111.869 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.2 tp -116.82 -41.25 3.06 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.469 1.108 . . . . 0.0 113.697 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -157.6 158.61 35.88 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.925 -1.109 . . . . 0.0 111.956 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.18 151.86 36.27 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 144.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -113.97 138.26 50.59 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.99 2.516 . . . . 0.0 111.653 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.83 133.43 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.934 1.294 . . . . 0.0 110.254 165.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.329 11.4 tp -124.58 132.4 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-O 123.537 1.637 . . . . 0.0 114.673 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -161.06 171.51 18.48 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.718 2.407 . . . . 0.0 112.162 -164.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -128.16 89.43 2.92 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.389 1.076 . . . . 0.0 109.508 157.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -65.43 -25.7 67.64 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.387 -0.821 . . . . 0.0 112.479 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -56.79 -54.18 49.33 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.913 1.285 . . . . 0.0 111.974 168.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 m -82.86 8.27 12.91 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.647 1.179 . . . . 0.0 112.146 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.03 23.47 67.78 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 120.478 -1.389 . . . . 0.0 115.63 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -113.16 154.37 26.77 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.964 1.882 . . . . 0.0 113.268 -174.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -114.88 140.24 49.14 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.128 1.371 . . . . 0.0 110.015 167.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -69.07 -34.89 75.87 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 165.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.14 77.48 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.259 0.933 . . . . 0.0 113.092 174.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -132.1 174.94 9.68 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.048 1.739 . . . . 0.0 109.059 169.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.17 -177.27 28.28 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 124.087 0.851 . . . . 0.0 112.098 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -110.1 148.11 32.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.811 0.844 . . . . 0.0 108.788 167.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.08 137.89 48.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 124.225 1.01 . . . . 0.0 109.86 171.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 m -129.22 144.2 51.13 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.047 0.939 . . . . 0.0 112.596 -172.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -113.43 161.25 17.54 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.838 1.655 . . . . 0.0 111.88 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.1 p -115.8 8.45 14.84 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 169.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -130.48 141.22 50.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.52 1.128 . . . . 0.0 111.024 166.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.86 -53.87 47.55 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.527 1.531 . . . . 0.0 114.035 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.59 -32.37 71.08 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.238 -0.914 . . . . 0.0 112.262 -176.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -35.15 73.88 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.347 0.659 . . . . 0.0 112.645 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.1 ttt -60.69 -45.18 95.16 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.162 0.585 . . . . 0.0 111.56 173.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -81.02 -33.06 33.87 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.718 -0.613 . . . . 0.0 112.625 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -67.63 -33.6 75.3 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.311 -0.868 . . . . 0.0 111.278 173.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.24 -60.41 2.48 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.98 0.512 . . . . 0.0 111.291 168.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.68 -34.59 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -172.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -74.11 -25.76 59.97 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.749 1.613 . . . . 0.0 113.443 173.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.57 -22.54 36.59 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.875 1.226 . . . . 0.0 115.486 174.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.7 mmt -77.53 -37.03 51.78 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.92 1.688 . . . . 0.0 113.355 -174.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -68.82 107.17 2.95 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.798 0.808 . . . . 0.0 112.521 -162.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.11 7.68 73.23 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.504 1.526 . . . . 0.0 115.377 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -68.3 154.9 40.84 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.979 1.889 . . . . 0.0 111.314 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.12 129.59 38.41 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.794 -0.566 . . . . 0.0 111.625 156.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.18 127.7 23.04 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.877 2.071 . . . . 0.0 107.529 170.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.1 t70 54.76 22.19 4.01 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -165.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.73 -3.36 64.4 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.943 2.211 . . . . 0.0 115.555 -172.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -98.34 146.11 26.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.327 2.251 . . . . 0.0 110.674 -177.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 t -76.16 117.56 17.99 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.039 0.536 . . . . 0.0 110.025 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.5 tt -97.41 145.91 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.096 0.958 . . . . 0.0 112.981 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.6 t -127.95 136.74 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.76 1.224 . . . . 0.0 108.871 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.7 m -122.72 130.12 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.246 1.018 . . . . 0.0 112.069 -172.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -151.71 148.8 28.35 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.87 0.868 . . . . 0.0 112.531 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.37 142.8 51.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.676 1.591 . . . . 0.0 113.715 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.65 -4.75 15.24 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -58.01 -28.45 64.46 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.335 1.454 . . . . 0.0 112.312 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.8 p -77.07 -15.11 59.7 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -122.35 -42.1 2.37 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 -173.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.12 162.87 35.09 Favored Glycine 0 N--CA 1.475 1.248 0 CA-C-N 120.267 1.394 . . . . 0.0 116.071 -169.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -143.26 170.69 15.28 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.759 1.224 . . . . 0.0 113.116 -160.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.26 -3.28 61.02 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 124.188 0.899 . . . . 0.0 114.312 164.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.027 1.775 . . . . 0.0 112.103 170.627 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.76 86.79 5.91 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.527 1.512 . . . . 0.0 110.052 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -62.57 93.63 0.05 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.708 1.603 . . . . 0.0 112.0 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.3 p -60.17 160.78 7.78 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.85 168.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.44 3.02 5.25 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -173.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.4 -29.99 61.11 Favored Glycine 0 CA--C 1.541 1.7 0 O-C-N 120.211 -1.555 . . . . 0.0 112.62 158.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.52 -167.06 1.44 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.551 2.74 . . . . 0.0 111.811 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -134.91 104.03 5.82 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -168.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -91.43 74.87 6.02 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 123.03 1.395 . . . . 0.0 109.47 165.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 ttm105 -143.81 144.41 31.77 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 128.303 2.641 . . . . 0.0 107.666 174.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -139.16 149.35 44.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -176.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -77.9 144.4 36.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.918 1.687 . . . . 0.0 110.541 171.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.03 113.76 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.68 1.592 . . . . 0.0 110.472 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.3 128.21 9.39 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.395 0.997 . . . . 0.0 110.933 169.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 m -174.76 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.8 1.64 . . . . 0.0 113.066 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 mt -71.02 165.05 24.31 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 122.863 1.316 . . . . 0.0 113.368 -152.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.0 p -154.19 179.51 8.89 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 125.418 1.487 . . . . 0.0 109.605 -168.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -46.33 -36.08 5.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 167.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -92.51 -23.18 19.19 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.29 150.64 21.84 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.223 1.009 . . . . 0.0 112.722 -175.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -149.91 -177.92 6.18 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -60.67 -35.32 75.96 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.357 -0.839 . . . . 0.0 112.751 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -24.99 63.72 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.468 -0.77 . . . . 0.0 112.508 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.78 -41.71 41.29 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.044 0.831 . . . . 0.0 113.187 174.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.9 mt -59.51 -47.37 85.78 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.745 0.818 . . . . 0.0 111.513 168.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.09 -48.47 81.6 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.798 -0.564 . . . . 0.0 112.192 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.51 -23.74 62.71 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.68 80.11 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.382 -0.824 . . . . 0.0 111.914 169.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.6 -3.72 23.46 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -169.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.5 p -57.84 -16.67 12.42 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.925 2.195 . . . . 0.0 116.925 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -88.86 -13.54 39.0 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.589 -1.32 . . . . 0.0 114.402 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -75.12 -31.08 61.02 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.546 -1.346 . . . . 0.0 111.089 168.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.64 169.98 38.65 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.966 1.269 . . . . 0.0 113.023 168.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.07 145.64 56.04 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.252 1.021 . . . . 0.0 111.725 172.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.7 tp -99.91 145.64 10.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 125.252 1.421 . . . . 0.0 112.192 -169.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 tp -106.42 -42.92 4.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.246 1.418 . . . . 0.0 112.677 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.19 163.22 13.18 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.941 1.696 . . . . 0.0 111.644 172.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.46 148.59 39.75 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.695 -0.628 . . . . 0.0 110.955 161.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.539 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 44.1 tptt -104.83 138.18 41.48 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.497 2.319 . . . . 0.0 109.712 176.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.35 139.33 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.045 1.338 . . . . 0.0 109.277 165.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 50' ' ' ARG 0.252 10.8 tp -132.55 140.97 46.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-O 123.242 1.496 . . . . 0.0 114.932 179.59 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -157.1 163.66 38.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.958 2.903 . . . . 0.0 109.769 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.11 127.11 29.82 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.994 0.918 . . . . 0.0 111.432 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -68.46 -25.41 64.98 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -80.47 -47.3 14.52 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.0 p -122.33 -2.84 8.98 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -168.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.76 2.52 56.96 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 120.865 -1.147 . . . . 0.0 114.756 -175.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -52.57 115.99 2.06 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.412 1.485 . . . . 0.0 110.616 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.8 m -70.28 139.65 52.17 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.701 0.8 . . . . 0.0 111.419 -169.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.481 ' HB2' HG23 ' A' ' 41' ' ' ILE . 25.2 mmm180 -79.79 -39.63 30.44 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.294 -0.879 . . . . 0.0 109.747 164.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.09 19.12 47.89 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.534 1.064 . . . . 0.0 114.494 170.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -146.02 175.16 10.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.751 1.22 . . . . 0.0 111.064 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.82 -161.91 25.4 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.153 0.882 . . . . 0.0 112.348 168.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.539 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 60.7 m-85 -112.97 156.33 23.21 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.424 1.49 . . . . 0.0 111.261 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.0 p -141.91 144.08 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.809 1.243 . . . . 0.0 110.981 173.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -133.77 122.98 24.08 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.516 1.526 . . . . 0.0 110.62 -167.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -91.57 164.01 13.93 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.705 0.802 . . . . 0.0 110.786 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.9 p -93.15 -6.23 48.36 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -137.45 154.54 49.9 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.453 1.501 . . . . 0.0 112.99 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -77.93 -50.71 11.65 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.633 1.173 . . . . 0.0 113.683 -167.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.35 -36.2 77.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.59 0.756 . . . . 0.0 111.709 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.26 97.37 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.905 1.282 . . . . 0.0 112.206 175.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.29 -41.49 96.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.075 0.55 . . . . 0.0 112.245 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -75.98 -31.38 58.95 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.312 -0.868 . . . . 0.0 113.112 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -73.73 -29.66 62.37 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.9 0.773 . . . . 0.0 111.48 170.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.65 71.78 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.534 171.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.6 mm -59.36 -48.4 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.402 1.456 . . . . 0.0 111.352 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.56 -30.54 63.25 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.858 0.863 . . . . 0.0 112.834 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.66 -26.49 27.14 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.049 1.309 . . . . 0.0 115.55 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -45.92 61.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.98 1.89 . . . . 0.0 113.434 -168.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -58.38 109.91 0.87 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -159.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.63 75.32 Favored Glycine 0 CA--C 1.536 1.397 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -63.58 157.47 23.69 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 120.388 2.094 . . . . 0.0 111.756 169.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.43 105.27 15.33 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.708 1.203 . . . . 0.0 112.064 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -119.4 134.06 55.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.964 1.706 . . . . 0.0 109.393 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 54.02 20.6 2.52 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.798 1.181 . . . . 0.0 113.02 -164.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.49 3.99 50.13 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 119.694 -1.879 . . . . 0.0 115.052 -167.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -92.74 138.64 31.31 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.581 1.952 . . . . 0.0 109.741 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.7 m -81.59 127.29 32.71 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.716 -0.615 . . . . 0.0 111.415 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.3 tt -89.83 146.08 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -174.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.41 136.94 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.826 2.051 . . . . 0.0 108.932 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.4 m -132.14 148.03 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -171.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -161.71 158.86 26.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.103 1.361 . . . . 0.0 110.9 150.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.26 152.35 25.11 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 121.109 -0.994 . . . . 0.0 112.548 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.28 4.97 31.6 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -161.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -63.6 -28.35 69.86 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.252 1.387 . . . . 0.0 114.473 -165.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.4 m -86.62 -37.98 17.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.776 0.83 . . . . 0.0 113.107 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -65.22 -41.82 94.06 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.236 -0.915 . . . . 0.0 111.213 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.04 14.91 57.75 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.875 1.226 . . . . 0.0 115.929 175.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.3 147.94 52.59 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 118.737 1.269 . . . . 0.0 111.255 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.64 160.14 41.35 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 115.94 1.136 . . . . 0.0 115.94 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.417 0 C-N-CA 126.146 1.831 . . . . 0.0 112.717 177.577 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.542 0.21 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.15 116.16 15.08 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.835 0.854 . . . . 0.0 111.558 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -65.23 89.9 0.09 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.653 1.581 . . . . 0.0 110.657 168.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -74.06 -174.61 1.94 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.202 1.801 . . . . 0.0 112.564 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -16.42 31.01 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -171.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.46 -11.46 64.25 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 125.862 1.696 . . . . 0.0 115.7 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -111.25 166.1 11.38 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.55 1.54 . . . . 0.0 113.63 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -127.84 162.15 27.35 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.249 1.42 . . . . 0.0 113.034 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -97.43 77.57 2.63 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.093 -1.004 . . . . 0.0 110.63 -168.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -138.81 133.65 32.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.942 1.297 . . . . 0.0 112.627 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 p -148.54 155.71 41.48 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.755 1.222 . . . . 0.0 113.833 -170.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -82.9 144.89 29.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.771 2.428 . . . . 0.0 112.419 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.3 t -137.86 110.2 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.065 1.746 . . . . 0.0 109.3 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.82 119.33 5.57 Favored Glycine 0 N--CA 1.473 1.122 0 CA-C-O 118.833 -0.982 . . . . 0.0 112.023 170.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.87 -4.52 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.737 1.615 . . . . 0.0 114.357 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 mt -78.6 166.9 22.01 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.568 -1.332 . . . . 0.0 111.486 -168.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -133.67 172.77 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 126.65 1.98 . . . . 0.0 108.87 175.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -56.78 -21.35 27.97 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -167.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -109.42 -12.95 14.67 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.037 1.735 . . . . 0.0 113.096 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.18 145.63 44.05 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 120.6 1.546 . . . . 0.0 110.565 169.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -146.85 -173.92 4.35 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.0 -31.46 65.11 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -59.0 -34.38 71.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.132 0.878 . . . . 0.0 112.143 173.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.05 -48.81 14.52 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.124 1.345 . . . . 0.0 113.176 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.81 -35.54 80.29 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.264 1.032 . . . . 0.0 112.309 172.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.67 -39.05 83.22 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.02 -1.05 . . . . 0.0 111.47 172.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.67 48.36 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -41.32 75.89 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.564 -0.71 . . . . 0.0 111.107 168.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -103.73 -14.45 16.09 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 -168.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 m -60.48 -20.55 60.42 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.684 1.583 . . . . 0.0 113.819 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 p -72.02 -17.89 62.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -84.46 -34.2 23.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.696 1.199 . . . . 0.0 111.895 174.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.87 -177.1 48.37 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.389 0.995 . . . . 0.0 112.866 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -81.17 119.39 23.53 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.268 1.027 . . . . 0.0 111.129 -174.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.9 mm -77.63 136.3 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.396 1.078 . . . . 0.0 111.54 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 mp -97.12 -45.67 6.46 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.547 1.539 . . . . 0.0 111.155 169.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -146.1 149.45 34.07 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.229 1.012 . . . . 0.0 111.15 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.79 127.45 13.35 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.213 1.005 . . . . 0.0 108.581 168.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.53 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 15.7 tppt? -107.46 139.62 41.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.652 1.581 . . . . 0.0 111.254 -174.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.517 HD13 ' N ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -112.53 143.04 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.234 1.414 . . . . 0.0 109.049 163.39 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.517 ' N ' HD13 ' A' ' 40' ' ' ILE . 9.5 tp -128.74 132.09 67.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 167.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -157.09 162.56 39.46 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 128.316 2.646 . . . . 0.0 110.931 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -100.64 98.06 8.66 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.94 -1.1 . . . . 0.0 109.919 161.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -36.34 75.07 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.052 0.941 . . . . 0.0 112.382 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.77 -27.38 65.84 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -104.62 1.27 29.42 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.548 1.539 . . . . 0.0 113.226 172.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.7 13.33 58.77 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.126 1.346 . . . . 0.0 114.447 -176.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -83.71 116.42 22.66 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.873 2.069 . . . . 0.0 111.682 -167.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.0 p -69.44 146.83 51.68 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.144 0.497 . . . . 0.0 111.374 168.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HB2' HG23 ' A' ' 41' ' ' ILE . 4.3 mmp_? -97.36 -33.05 11.57 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.554 -0.716 . . . . 0.0 110.095 152.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.27 22.0 59.64 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.795 0.712 . . . . 0.0 114.323 166.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -143.14 172.82 12.21 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.494 1.518 . . . . 0.0 111.111 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.55 -175.85 34.01 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 125.286 1.422 . . . . 0.0 113.139 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.53 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 74.9 m-85 -112.25 157.13 21.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.991 1.316 . . . . 0.0 109.974 166.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -140.29 143.34 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 125.324 1.45 . . . . 0.0 109.879 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 p -140.46 151.6 44.99 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -123.79 161.97 24.16 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.163 1.385 . . . . 0.0 113.008 -170.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.9 t -78.44 -20.88 50.09 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.068 1.747 . . . . 0.0 113.181 174.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -134.81 150.94 50.57 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.523 1.529 . . . . 0.0 112.994 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -34.59 78.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.558 1.543 . . . . 0.0 113.177 169.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -53.38 -44.53 68.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.515 1.526 . . . . 0.0 112.586 176.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.25 -45.99 36.55 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.003 0.921 . . . . 0.0 111.473 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -59.08 -47.36 85.53 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.466 0.706 . . . . 0.0 112.198 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -78.13 -33.99 50.14 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.983 -0.532 . . . . 0.0 112.283 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.82 -29.28 64.26 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.289 1.404 . . . . 0.0 111.869 173.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.37 -54.73 15.33 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.666 -0.646 . . . . 0.0 110.737 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.92 -41.55 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.541 1.536 . . . . 0.0 112.624 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -56.24 -31.97 64.05 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.316 1.046 . . . . 0.0 112.407 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.45 -44.59 6.47 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.102 1.334 . . . . 0.0 113.891 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.429 ' CB ' HG11 ' A' ' 82' ' ' VAL . 27.0 mtt -56.07 -37.54 69.46 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.932 1.366 . . . . 0.0 112.695 -176.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -62.92 92.42 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.459 1.504 . . . . 0.0 111.276 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.31 18.09 22.62 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -84.44 165.19 18.36 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.956 1.878 . . . . 0.0 113.626 172.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -96.44 133.47 40.82 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 153.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.7 tp -146.76 131.64 18.08 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.472 1.109 . . . . 0.0 110.622 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 t0 45.68 35.18 2.03 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.928 1.291 . . . . 0.0 113.563 -162.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.71 11.4 83.22 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.045 0.831 . . . . 0.0 114.877 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -118.84 155.05 31.89 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.626 1.97 . . . . 0.0 110.366 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -79.58 106.9 11.95 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.68 -0.638 . . . . 0.0 110.624 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.0 tt -75.5 134.33 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.184 0.594 . . . . 0.0 111.368 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.8 t -133.35 140.09 47.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.106 1.762 . . . . 0.0 108.84 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.429 HG11 ' CB ' ' A' ' 70' ' ' MET . 16.0 m -138.82 148.94 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -164.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -157.86 160.55 37.81 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.009 0.924 . . . . 0.0 111.799 158.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -60.72 151.39 29.5 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.927 -1.108 . . . . 0.0 113.699 169.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.3 -13.86 8.83 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.933 1.293 . . . . 0.0 113.103 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -57.87 -22.56 48.72 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.1 p -68.64 -25.99 65.11 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 173.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -89.31 -22.72 22.51 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.306 1.442 . . . . 0.0 112.704 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -78.45 -179.93 51.45 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.222 1.391 . . . . 0.0 115.846 -175.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -89.48 136.1 33.22 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.503 1.121 . . . . 0.0 111.044 175.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.8 174.79 54.03 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 115.764 1.066 . . . . 0.0 115.764 -174.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 116.857 -2.079 . . . . 0.0 116.564 -178.875 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.12 91.52 3.34 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.99 1.316 . . . . 0.0 109.129 169.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -91.55 83.55 5.39 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.479 1.912 . . . . 0.0 109.152 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.68 162.64 2.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.381 1.473 . . . . 0.0 112.449 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -53.84 -26.15 22.97 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -170.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.69 -23.11 77.48 Favored Glycine 0 CA--C 1.539 1.543 0 O-C-N 121.022 -1.049 . . . . 0.0 115.297 173.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.24 156.47 16.31 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.901 1.68 . . . . 0.0 111.318 172.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.73 158.23 44.62 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -177.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.22 79.13 9.65 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.175 0.988 . . . . 0.0 110.094 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -131.84 144.95 51.27 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.164 1.786 . . . . 0.0 111.594 -168.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 p -131.97 156.39 46.28 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.125 0.97 . . . . 0.0 112.201 171.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -89.28 142.27 27.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.4 1.88 . . . . 0.0 110.009 172.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.5 t -141.26 139.87 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.141 1.776 . . . . 0.0 109.299 -166.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.77 123.2 1.22 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 117.461 1.745 . . . . 0.0 117.461 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 p -150.04 -1.85 0.41 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 129.112 2.965 . . . . 0.0 112.508 166.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 mt -75.14 162.15 28.76 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.686 1.231 . . . . 0.0 112.015 -154.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -138.53 168.56 19.51 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 126.581 1.952 . . . . 0.0 108.828 -173.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -44.18 -33.6 1.58 Allowed 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -97.64 -14.94 20.66 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.996 1.318 . . . . 0.0 114.496 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.19 141.69 28.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.055 0.942 . . . . 0.0 109.797 176.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -140.9 -165.24 1.9 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.941 -0.474 . . . . 0.0 111.129 171.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.27 -38.8 13.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.527 1.131 . . . . 0.0 113.439 175.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -50.09 -38.78 40.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.696 1.199 . . . . 0.0 113.161 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.06 -46.0 38.23 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 118.883 0.765 . . . . 0.0 113.467 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.73 -29.36 64.45 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.042 0.921 . . . . 0.0 113.033 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.1 -52.09 66.38 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.422 1.489 . . . . 0.0 110.793 170.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.42 89.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.263 0.483 . . . . 0.0 111.893 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.21 -37.51 78.12 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -81.93 -19.47 40.7 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.3 t -57.7 -21.84 42.84 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -171.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 p -81.14 -18.75 45.32 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.857 1.263 . . . . 0.0 114.185 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -92.92 -27.2 17.22 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.424 1.889 . . . . 0.0 112.688 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.62 -176.03 45.32 Favored Glycine 0 CA--C 1.531 1.087 0 CA-C-N 120.095 1.316 . . . . 0.0 116.023 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -109.08 117.4 34.06 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.879 1.672 . . . . 0.0 110.836 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 mm -67.29 134.5 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.63 1.572 . . . . 0.0 113.59 -159.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.5 mt -100.58 -27.46 13.39 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 118.026 -0.988 . . . . 0.0 113.51 166.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -148.33 144.92 27.88 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.16 1.384 . . . . 0.0 110.979 176.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.73 108.41 4.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.991 1.316 . . . . 0.0 109.298 168.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 44.6 tptt -102.59 143.52 32.18 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.516 1.526 . . . . 0.0 109.998 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -117.8 140.38 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 125.62 1.568 . . . . 0.0 106.922 160.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.547 HG23 ' HB2' ' A' ' 50' ' ' ARG . 9.8 tp -119.56 118.26 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 122.58 1.181 . . . . 0.0 111.854 167.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -159.45 142.83 14.48 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.704 2.002 . . . . 0.0 108.463 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -109.03 86.83 2.36 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.573 1.079 . . . . 0.0 109.308 157.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -72.77 -19.29 61.39 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -165.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -70.59 -22.61 62.54 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.564 1.074 . . . . 0.0 112.884 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.4 p -110.44 14.97 22.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.24 1.416 . . . . 0.0 112.288 170.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.6 17.62 62.62 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.948 1.261 . . . . 0.0 115.274 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -82.47 69.91 9.32 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.122 1.369 . . . . 0.0 111.677 -169.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.8 m -72.88 96.18 2.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.7 0.8 . . . . 0.0 110.638 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.547 ' HB2' HG23 ' A' ' 41' ' ' ILE . 5.0 mtp180 -66.82 -25.64 66.54 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 121.172 -0.955 . . . . 0.0 110.775 173.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.78 19.99 78.47 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.135 1.35 . . . . 0.0 114.842 163.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -134.83 168.52 18.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.328 1.851 . . . . 0.0 110.34 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.89 177.05 41.18 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 125.419 1.485 . . . . 0.0 113.235 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 83.7 m-85 -111.07 147.84 33.93 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.685 1.194 . . . . 0.0 109.946 167.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.07 149.59 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.426 1.09 . . . . 0.0 110.181 167.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -147.57 154.07 40.23 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -122.34 177.55 5.33 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.915 1.686 . . . . 0.0 110.591 172.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 m -72.05 -15.93 62.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.522 1.129 . . . . 0.0 113.822 172.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -150.51 160.97 43.41 Favored 'General case' 0 CA--C 1.552 1.058 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -75.27 -35.21 61.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.096 1.359 . . . . 0.0 114.158 -172.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -62.31 -45.37 93.55 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.963 0.905 . . . . 0.0 112.006 -169.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.68 78.6 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.914 0.886 . . . . 0.0 112.662 173.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 90.9 mmm -58.62 -42.16 87.59 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.234 0.925 . . . . 0.0 112.141 173.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -76.67 -34.45 58.24 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -64.47 -33.9 76.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.954 0.902 . . . . 0.0 111.176 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.91 61.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.3 0.64 . . . . 0.0 111.585 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.4 -36.45 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.627 1.103 . . . . 0.0 112.08 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.5 -27.45 67.79 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 171.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.88 -8.64 50.97 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.692 1.615 . . . . 0.0 115.733 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.6 mmt -96.1 -41.45 8.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.679 1.991 . . . . 0.0 113.43 -175.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -62.56 108.87 1.22 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -161.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.97 5.92 70.17 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.3 1.429 . . . . 0.0 115.892 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -68.03 163.18 22.9 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.73 1.765 . . . . 0.0 113.95 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -103.9 109.4 21.14 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.135 1.374 . . . . 0.0 108.885 171.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 tp -142.41 131.8 23.63 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.127 1.371 . . . . 0.0 110.611 -165.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 t0 53.41 25.02 4.3 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -159.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.08 -3.63 75.55 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 126.121 1.82 . . . . 0.0 115.59 -170.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -114.53 154.71 27.77 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.842 1.657 . . . . 0.0 112.065 -168.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.8 p -73.9 128.8 36.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.879 0.872 . . . . 0.0 112.273 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.4 tt -112.29 139.82 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 -174.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 t -119.57 146.61 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 127.96 2.504 . . . . 0.0 110.457 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.9 m -137.81 141.43 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.891 1.676 . . . . 0.0 112.458 -178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -158.47 155.64 28.87 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.058 0.943 . . . . 0.0 113.308 163.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -60.88 142.68 56.06 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.399 1.48 . . . . 0.0 114.96 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.45 30.01 4.19 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 125.941 1.696 . . . . 0.0 114.295 -177.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -100.53 -12.77 19.02 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -172.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.0 m -72.19 -31.79 66.22 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -173.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -70.0 -10.98 60.49 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -169.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -84.86 -0.33 89.1 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.855 1.217 . . . . 0.0 115.214 176.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -123.99 144.24 49.93 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.598 1.559 . . . . 0.0 113.17 -173.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.88 137.19 5.53 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.683 1.135 . . . . 0.0 112.284 168.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.243 0 C-N-CA 125.69 1.614 . . . . 0.0 112.466 178.046 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 121.827 0.822 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -126.62 125.76 42.47 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.681 1.992 . . . . 0.0 109.942 -173.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -140.99 155.7 46.17 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.64 0.776 . . . . 0.0 112.665 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -84.83 145.96 27.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.649 1.98 . . . . 0.0 111.827 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.99 110.08 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.324 1.449 . . . . 0.0 108.69 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.21 134.82 11.93 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.335 0.969 . . . . 0.0 112.187 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.4 -31.57 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 126.954 2.102 . . . . 0.0 112.925 172.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.42 163.64 5.05 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.249 1.819 . . . . 0.0 113.802 -161.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.1 p -145.14 175.62 10.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.106 1.762 . . . . 0.0 111.183 -169.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.1 p90 -51.69 -14.79 0.38 Allowed 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 164.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -100.32 -30.61 11.77 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.128 1.371 . . . . 0.0 113.465 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.61 146.59 23.66 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 120.382 1.447 . . . . 0.0 113.926 -176.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -137.29 -178.3 5.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.221 1.009 . . . . 0.0 112.753 174.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.04 -33.08 64.62 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.874 0.87 . . . . 0.0 112.812 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.25 -38.86 81.1 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.06 0.944 . . . . 0.0 111.859 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.62 -35.93 62.41 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.643 1.116 . . . . 0.0 113.888 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pp -79.59 -35.18 40.04 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.693 1.246 . . . . 0.0 111.989 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -55.25 -45.5 76.05 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.268 -0.895 . . . . 0.0 110.678 170.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.68 -18.73 65.03 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.48 -24.29 24.17 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.307 1.043 . . . . 0.0 113.689 172.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -102.53 -21.22 14.23 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.675 1.59 . . . . 0.0 114.217 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 t -59.95 -23.61 63.7 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.961 1.304 . . . . 0.0 113.349 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 p -69.79 -12.59 61.75 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.656 1.982 . . . . 0.0 115.031 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -95.69 -38.85 10.18 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.156 0.982 . . . . 0.0 112.665 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.49 179.19 46.84 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 115.285 0.874 . . . . 0.0 115.285 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.21 115.68 11.73 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.688 1.595 . . . . 0.0 111.651 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.1 mm -78.08 139.84 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.784 1.234 . . . . 0.0 111.942 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 mt -92.42 -45.35 8.2 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.429 1.492 . . . . 0.0 111.686 168.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.55 159.36 44.15 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.901 0.858 . . . . 0.0 111.645 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.87 148.64 47.19 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.031 149.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -119.38 137.79 53.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.696 1.598 . . . . 0.0 108.934 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.74 132.67 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.025 1.33 . . . . 0.0 109.402 164.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.281 10.6 tp . . . . . 0 N--CA 1.472 0.65 0 CA-C-O 123.028 1.395 . . . . 0.0 113.52 -173.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 CA--C 1.538 0.509 0 CA-C-O 121.353 0.597 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -72.15 -28.63 63.37 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.817 0.847 . . . . 0.0 110.284 161.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.37 26.4 68.14 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.033 1.301 . . . . 0.0 113.839 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -150.79 -179.25 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 125.11 1.364 . . . . 0.0 110.396 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.61 -151.85 10.83 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 124.245 0.926 . . . . 0.0 110.893 161.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -114.13 156.9 23.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 p -128.91 142.97 42.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 126.841 2.056 . . . . 0.0 108.814 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.5 p -137.37 141.38 41.76 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -111.46 153.89 25.49 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.995 1.318 . . . . 0.0 112.722 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 m -75.21 -13.14 60.42 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.796 1.239 . . . . 0.0 113.748 170.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -139.19 150.68 45.85 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.442 1.897 . . . . 0.0 110.833 -172.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -82.4 -36.56 26.61 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -57.34 -42.51 82.09 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.313 1.045 . . . . 0.0 111.384 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.82 -43.84 97.71 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.105 0.962 . . . . 0.0 112.543 174.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 44.0 ttp -63.91 -44.7 92.16 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.903 -0.498 . . . . 0.0 111.663 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -77.75 -39.79 43.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 118.457 -0.782 . . . . 0.0 113.095 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -67.68 -29.37 68.63 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.037 0.835 . . . . 0.0 111.81 173.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.03 -62.43 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.439 0.563 . . . . 0.0 110.754 169.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.3 mt -52.71 -46.2 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.438 1.017 . . . . 0.0 112.806 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -65.86 -21.09 66.44 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.23 0.923 . . . . 0.0 113.388 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.21 -26.07 10.54 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.835 1.207 . . . . 0.0 115.741 173.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.6 mmt -76.64 -26.65 55.12 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.122 1.769 . . . . 0.0 114.733 -168.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -51.24 114.57 1.24 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.033 0.833 . . . . 0.0 111.664 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.89 6.97 87.89 Favored Glycine 0 CA--C 1.537 1.45 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -67.11 167.59 11.73 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.679 1.74 . . . . 0.0 112.361 173.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -118.28 117.4 29.0 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.84 0.856 . . . . 0.0 112.266 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -116.56 134.59 54.66 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.979 2.112 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.7 t0 44.7 32.93 0.85 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.757 1.623 . . . . 0.0 115.221 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.41 20.09 65.07 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.156 1.36 . . . . 0.0 115.721 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -132.25 144.63 50.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.931 2.092 . . . . 0.0 111.279 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 t -82.43 133.48 35.21 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.48 -0.762 . . . . 0.0 112.27 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 pt -98.44 163.4 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -169.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.8 t -133.96 141.89 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.666 1.587 . . . . 0.0 108.975 165.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 m -123.33 132.65 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.377 1.471 . . . . 0.0 112.549 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -154.78 164.01 39.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.219 -0.926 . . . . 0.0 112.084 160.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.59 152.03 27.3 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.968 -1.082 . . . . 0.0 112.998 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.844 0 C-N-CA 124.607 1.163 . . . . 0.0 113.387 -175.042 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 CA--C 1.547 0.854 0 CA-C-O 119.911 -0.09 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 ptm85 -133.64 144.71 49.39 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 p -135.56 158.43 44.4 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.664 1.585 . . . . 0.0 113.655 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -92.23 150.17 21.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.249 2.22 . . . . 0.0 111.794 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.7 120.44 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.837 1.655 . . . . 0.0 110.478 177.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.03 122.29 7.44 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.729 -1.039 . . . . 0.0 111.316 169.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -177.64 -33.21 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.851 1.26 . . . . 0.0 114.289 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.3 mt -56.3 151.62 12.49 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -164.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 p -130.53 179.41 5.95 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.023 2.129 . . . . 0.0 111.092 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.2 p90 -47.66 -25.67 1.26 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 164.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -88.7 -34.11 17.31 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.392 1.477 . . . . 0.0 113.287 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.19 153.29 21.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.712 1.205 . . . . 0.0 113.736 -169.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.08 -172.05 3.5 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.643 1.177 . . . . 0.0 112.183 165.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -52.44 -35.16 51.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.617 1.167 . . . . 0.0 112.791 172.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -69.23 -40.59 77.85 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.974 1.31 . . . . 0.0 113.993 -170.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.1 -28.71 72.62 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.436 0.562 . . . . 0.0 112.847 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.71 -38.24 47.75 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 117.725 0.762 . . . . 0.0 111.782 170.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.25 -43.48 70.96 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.617 1.098 . . . . 0.0 111.157 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.73 82.11 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.713 0.688 . . . . 0.0 112.843 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -30.17 70.24 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -88.84 -24.58 22.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.516 1.126 . . . . 0.0 113.587 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 m -60.85 -20.39 61.69 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.535 1.062 . . . . 0.0 113.833 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -60.43 -27.76 67.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.937 0.895 . . . . 0.0 113.382 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -91.68 -24.87 19.36 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.729 1.212 . . . . 0.0 113.412 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.16 -171.08 43.34 Favored Glycine 0 CA--C 1.533 1.157 0 N-CA-C 115.315 0.886 . . . . 0.0 115.315 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.95 116.21 15.43 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.219 1.408 . . . . 0.0 111.622 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 mm -77.99 135.27 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.453 1.101 . . . . 0.0 110.916 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.05 -35.03 12.1 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.777 1.231 . . . . 0.0 112.079 169.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -164.54 157.55 17.21 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.263 0.938 . . . . 0.0 111.107 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.74 148.05 36.62 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.26 0.552 . . . . 0.0 110.797 158.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -103.05 133.84 47.5 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.297 -0.877 . . . . 0.0 110.236 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.31 136.75 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 125.839 1.656 . . . . 0.0 108.535 166.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 50' ' ' ARG . 8.5 tp . . . . . 0 CA--C 1.543 0.709 0 CA-C-O 122.893 1.33 . . . . 0.0 112.861 168.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HB2' HG23 ' A' ' 41' ' ' ILE . 15.5 mmp_? -67.76 -31.37 71.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.19 0.596 . . . . 0.0 111.713 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.35 23.72 64.87 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 115.503 0.961 . . . . 0.0 115.503 162.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -139.89 167.83 21.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.496 1.519 . . . . 0.0 110.577 173.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.55 176.9 32.17 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.594 1.092 . . . . 0.0 113.346 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.66 158.2 23.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.499 1.12 . . . . 0.0 111.328 167.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.17 139.36 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.647 1.579 . . . . 0.0 109.226 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -126.84 136.67 52.66 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.027 1.331 . . . . 0.0 112.259 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -112.94 157.25 21.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.791 2.037 . . . . 0.0 111.936 -167.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 m -82.35 -27.42 32.18 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.173 0.989 . . . . 0.0 113.17 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -137.11 152.69 50.29 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.563 1.145 . . . . 0.0 113.475 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -68.2 -41.13 81.82 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.623 1.969 . . . . 0.0 113.947 -170.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -68.32 -37.86 80.99 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.991 -1.068 . . . . 0.0 112.649 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.83 92.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.307 0.643 . . . . 0.0 112.173 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 43.8 ttp -61.8 -43.47 98.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.977 0.911 . . . . 0.0 111.98 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -75.06 -49.48 19.6 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.476 0.71 . . . . 0.0 112.448 -173.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -71.85 -23.03 61.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.09 -61.88 1.98 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.219 167.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.09 -44.49 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 125.164 1.385 . . . . 0.0 112.015 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.78 -22.77 67.06 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.582 1.153 . . . . 0.0 113.608 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.44 -31.54 6.75 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.559 1.076 . . . . 0.0 114.656 169.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mmt -67.51 -28.35 67.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.975 1.71 . . . . 0.0 114.31 -172.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -56.18 104.73 0.15 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.737 0.815 . . . . 0.0 112.412 -173.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.82 8.02 77.08 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.737 1.455 . . . . 0.0 116.737 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -67.72 154.8 40.7 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.067 1.934 . . . . 0.0 112.83 174.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -85.74 120.04 26.73 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.094 0.957 . . . . 0.0 110.98 163.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -128.22 131.39 48.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.544 1.938 . . . . 0.0 109.27 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 56.3 20.56 4.71 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.418 1.487 . . . . 0.0 113.619 -169.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.54 6.07 86.45 Favored Glycine 0 CA--C 1.539 1.571 0 O-C-N 120.207 -1.558 . . . . 0.0 114.982 -170.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -108.34 150.56 27.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.912 2.085 . . . . 0.0 109.989 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.7 m -82.1 132.58 35.25 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.447 -0.783 . . . . 0.0 111.258 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.8 tt -101.94 148.76 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 121.726 0.774 . . . . 0.0 112.974 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.5 t -129.09 139.65 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.336 1.854 . . . . 0.0 108.162 173.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 m -133.49 130.78 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -168.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -154.38 158.71 40.46 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.845 1.258 . . . . 0.0 111.703 169.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.32 151.55 27.41 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.07 -1.019 . . . . 0.0 112.823 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.684 0 C-N-CA 125.289 1.436 . . . . 0.0 112.783 -176.641 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 122.614 1.197 . . . . 0.0 108.243 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -130.48 155.76 45.92 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.534 1.533 . . . . 0.0 112.508 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -148.53 157.03 43.2 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.475 1.11 . . . . 0.0 113.441 -175.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.6 147.61 43.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.596 1.559 . . . . 0.0 111.334 166.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.11 145.46 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.349 1.86 . . . . 0.0 109.53 164.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.12 124.91 1.9 Allowed Glycine 0 CA--C 1.528 0.867 0 O-C-N 121.999 -0.438 . . . . 0.0 113.053 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.9 p -176.56 -20.88 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.996 2.118 . . . . 0.0 113.547 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.49 161.97 18.96 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.066 1.346 . . . . 0.0 112.556 -166.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -114.82 176.55 5.0 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 126.771 2.029 . . . . 0.0 110.471 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -50.86 -25.71 4.87 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.161 0.984 . . . . 0.0 113.647 166.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -100.22 -29.35 12.51 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.63 149.09 45.91 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.873 1.67 . . . . 0.0 111.542 174.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -149.03 -178.29 6.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -58.46 -33.71 70.06 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.301 -0.875 . . . . 0.0 113.204 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -66.6 -32.05 73.14 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.71 -43.78 65.91 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.437 1.018 . . . . 0.0 112.582 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -57.89 -51.02 71.35 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 117.625 0.712 . . . . 0.0 111.483 168.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.43 -45.15 76.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.174 0.989 . . . . 0.0 112.007 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.12 -27.37 63.53 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -174.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.39 -47.31 34.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.121 0.568 . . . . 0.0 110.789 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -76.31 -20.57 57.17 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.9 t -62.34 -21.3 65.19 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.147 0.885 . . . . 0.0 113.033 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.8 m -71.46 -23.55 61.85 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.831 -1.168 . . . . 0.0 113.176 173.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -79.47 -43.73 22.68 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.447 -0.783 . . . . 0.0 111.266 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.92 -160.48 26.89 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 116.107 1.203 . . . . 0.0 116.107 176.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.89 132.71 53.01 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.52 1.128 . . . . 0.0 111.844 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 mm -109.0 138.8 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.227 1.811 . . . . 0.0 110.316 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -96.96 -31.13 12.7 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.081 1.352 . . . . 0.0 112.734 169.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -164.21 154.85 15.17 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.271 1.028 . . . . 0.0 111.378 -177.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.79 150.3 49.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.556 138.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -102.55 144.72 30.61 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.981 1.713 . . . . 0.0 110.282 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.95 141.35 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.655 1.182 . . . . 0.0 110.211 160.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.4 tp . . . . . 0 CA--C 1.544 0.715 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.875 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -81.61 -23.62 36.93 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.749 -1.219 . . . . 0.0 111.203 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.75 15.5 66.75 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.641 1.115 . . . . 0.0 115.347 163.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -127.41 168.72 14.46 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.247 2.219 . . . . 0.0 108.981 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.54 178.25 34.84 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.391 0.996 . . . . 0.0 113.514 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -116.36 158.08 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.563 1.145 . . . . 0.0 110.689 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.12 138.89 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.938 1.295 . . . . 0.0 108.913 168.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 t -131.34 133.85 45.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.635 1.174 . . . . 0.0 111.327 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -109.65 156.54 20.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.433 1.493 . . . . 0.0 111.667 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -85.15 -16.32 40.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -132.47 146.28 51.82 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.871 1.214 . . . . 0.0 112.308 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -77.64 -40.81 40.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.62 1.168 . . . . 0.0 113.58 -163.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -73.28 -35.52 66.17 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.027 -1.046 . . . . 0.0 112.019 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.51 97.9 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.582 1.153 . . . . 0.0 112.148 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -59.87 -45.16 93.36 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.692 0.797 . . . . 0.0 112.082 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -71.96 -35.62 69.61 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.48 -0.762 . . . . 0.0 112.126 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -67.38 -30.24 69.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.068 0.547 . . . . 0.0 112.067 174.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.47 43.82 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 118.598 -0.715 . . . . 0.0 110.737 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.9 mm -54.09 -39.3 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 120.154 1.343 . . . . 0.0 113.211 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.15 -26.03 61.94 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 120.605 -1.31 . . . . 0.0 113.954 172.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.32 -33.6 22.48 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.64 1.114 . . . . 0.0 114.727 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mtt -69.34 -41.74 76.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.471 1.908 . . . . 0.0 112.949 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -53.06 112.68 0.9 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.16 0.984 . . . . 0.0 111.957 -171.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.81 86.98 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.754 1.462 . . . . 0.0 116.754 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -69.24 146.28 52.46 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.12 1.96 . . . . 0.0 112.957 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -86.6 86.1 7.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.852 1.261 . . . . 0.0 108.943 169.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -95.82 127.85 42.2 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.066 0.946 . . . . 0.0 110.029 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.9 t70 55.09 23.2 5.05 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 122.218 1.008 . . . . 0.0 112.825 -160.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.26 -5.88 83.2 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.675 2.083 . . . . 0.0 115.54 -172.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -108.08 134.87 50.35 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.449 1.624 . . . . 0.0 111.852 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.6 m -64.24 118.75 9.08 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.732 0.813 . . . . 0.0 111.946 -176.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.0 tt -93.85 161.43 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.399 1.48 . . . . 0.0 112.395 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.6 t -136.64 146.21 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.81 1.644 . . . . 0.0 108.694 173.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.9 m -127.18 142.71 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.865 1.266 . . . . 0.0 113.659 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.19 160.4 38.68 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.776 1.231 . . . . 0.0 111.35 152.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 153.25 17.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.764 1.226 . . . . 0.0 113.685 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.843 0 C-N-CA 125.704 1.602 . . . . 0.0 113.187 -175.685 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.852 0.358 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -113.94 137.26 51.92 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.512 1.125 . . . . 0.0 111.727 -172.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.29 157.07 46.39 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.319 1.047 . . . . 0.0 112.768 175.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -76.36 151.12 36.73 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.784 2.034 . . . . 0.0 111.754 170.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.75 120.04 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.248 1.819 . . . . 0.0 110.361 170.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.14 124.19 5.92 Favored Glycine 0 N--CA 1.474 1.208 0 C-N-CA 124.434 1.016 . . . . 0.0 112.481 172.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 p -179.79 -24.21 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.961 1.704 . . . . 0.0 114.147 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.96 159.37 20.08 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.079 1.352 . . . . 0.0 113.252 -161.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.7 m -127.17 169.63 13.25 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 126.913 2.085 . . . . 0.0 109.792 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -54.02 -33.68 57.87 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -78.7 -31.36 46.5 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.559 1.143 . . . . 0.0 113.334 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.12 156.51 37.31 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.273 1.429 . . . . 0.0 112.265 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -148.78 -165.57 2.31 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.478 -0.763 . . . . 0.0 112.492 163.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -54.88 -31.44 59.86 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 121.619 -0.676 . . . . 0.0 112.496 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -52.97 -44.55 67.24 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.307 0.958 . . . . 0.0 112.395 -177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.44 -36.71 43.37 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.476 -176.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.29 -37.82 56.98 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.996 1.398 . . . . 0.0 111.655 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -57.95 -43.98 86.7 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.612 1.165 . . . . 0.0 110.588 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.18 82.2 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.28 74.0 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.588 -0.695 . . . . 0.0 111.621 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -73.88 -30.63 62.73 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.49 1.116 . . . . 0.0 113.097 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.8 t -60.16 -20.11 56.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.218 1.007 . . . . 0.0 113.418 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 m -80.18 -15.14 57.7 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -88.38 -26.28 22.26 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.661 1.184 . . . . 0.0 113.108 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.3 -173.86 46.19 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.632 1.11 . . . . 0.0 113.489 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.03 115.33 5.96 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.214 1.006 . . . . 0.0 111.392 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.7 tp -88.14 145.17 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 127.341 2.256 . . . . 0.0 111.871 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -113.24 -55.6 2.5 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.836 1.254 . . . . 0.0 113.042 -171.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -164.15 154.72 15.18 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.562 1.945 . . . . 0.0 110.43 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.08 147.36 40.16 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.814 0.846 . . . . 0.0 112.956 167.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 59.4 tptt -102.09 150.45 23.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.098 2.159 . . . . 0.0 110.389 177.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.55 145.67 34.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 126.019 1.727 . . . . 0.0 108.573 161.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.514 HG23 ' HB2' ' A' ' 50' ' ' ARG . 11.0 tp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 123.158 1.456 . . . . 0.0 114.816 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.514 ' HB2' HG23 ' A' ' 41' ' ' ILE . 19.7 mtp85 -90.78 -26.01 19.68 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.737 0.415 . . . . 0.0 111.376 168.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.29 19.62 58.48 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.12 1.343 . . . . 0.0 114.81 167.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -144.65 172.97 12.25 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.301 -1.117 . . . . 0.0 112.031 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.74 -177.22 31.62 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 125.518 1.532 . . . . 0.0 113.376 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.555 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 69.5 m-85 -115.76 161.42 18.76 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.104 1.362 . . . . 0.0 110.188 161.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -148.36 150.62 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.901 1.28 . . . . 0.0 110.888 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.8 t -143.03 153.42 42.94 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -171.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -126.11 167.04 15.93 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.721 2.008 . . . . 0.0 113.844 -171.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.3 p -78.54 -19.09 53.66 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -147.94 162.08 40.03 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.32 1.448 . . . . 0.0 113.643 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -63.95 -33.62 76.14 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.089 1.756 . . . . 0.0 113.05 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -66.94 -49.89 64.05 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.601 -0.687 . . . . 0.0 112.746 -168.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.78 74.66 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -64.45 -49.12 72.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.503 0.592 . . . . 0.0 111.336 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -71.76 -35.67 70.15 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.09 -1.006 . . . . 0.0 112.273 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.89 -31.43 72.36 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.94 0.896 . . . . 0.0 112.127 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.68 -59.44 2.95 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.31 171.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.9 mm -53.07 -37.87 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 120.128 1.331 . . . . 0.0 112.655 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.52 -44.85 77.04 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.8 1.24 . . . . 0.0 113.093 172.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.95 -23.56 29.78 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.401 1.0 . . . . 0.0 115.055 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.438 ' HB3' HG11 ' A' ' 82' ' ' VAL . 12.8 mmt -74.72 -32.25 62.08 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.814 1.307 . . . . 0.0 114.306 -166.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -55.69 109.29 0.54 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 120.377 1.444 . . . . 0.0 112.112 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.46 6.3 89.0 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.177 1.37 . . . . 0.0 116.259 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -64.66 139.64 58.78 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.731 2.266 . . . . 0.0 110.751 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -82.4 98.16 8.73 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 122.011 -0.431 . . . . 0.0 111.94 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.02 135.4 51.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.051 1.74 . . . . 0.0 109.837 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 t70 51.57 29.39 5.44 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.049 0.939 . . . . 0.0 113.398 -174.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.78 17.23 80.09 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.521 -1.362 . . . . 0.0 115.493 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -131.57 145.6 51.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.371 1.868 . . . . 0.0 111.712 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 81.0 p -70.18 127.08 31.58 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.671 -0.643 . . . . 0.0 111.251 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.9 tt -94.61 144.97 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.712 0.768 . . . . 0.0 112.98 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.61 133.67 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.705 1.602 . . . . 0.0 108.603 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 70' ' ' MET . 8.7 m -133.19 141.33 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -169.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -154.94 159.87 40.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.551 1.14 . . . . 0.0 110.838 164.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -59.62 146.34 41.33 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.162 -0.961 . . . . 0.0 110.831 169.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.596 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 N--CA 1.472 0.637 0 CA-C-O 123.046 1.403 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -140.35 153.62 46.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.851 2.06 . . . . 0.0 110.986 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.82 155.67 49.41 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.557 0.694 . . . . 0.0 112.028 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -74.41 149.87 40.25 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.477 1.111 . . . . 0.0 110.629 167.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -138.18 104.7 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.343 1.457 . . . . 0.0 108.468 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.21 120.44 6.17 Favored Glycine 0 N--CA 1.47 0.935 0 CA-C-O 119.376 -0.68 . . . . 0.0 111.843 173.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.5 p -177.47 -19.61 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.0 mt -76.79 166.15 23.75 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 122.767 1.27 . . . . 0.0 113.844 -163.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -147.01 173.62 12.28 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.637 2.375 . . . . 0.0 109.23 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -56.07 -24.93 42.99 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -170.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -90.12 -25.46 20.7 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.861 1.209 . . . . 0.0 113.996 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.46 155.27 34.02 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.632 1.106 . . . . 0.0 110.877 172.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.39 -167.97 2.97 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 121.463 -0.773 . . . . 0.0 112.672 167.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -51.99 -31.88 31.34 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -71.56 -29.56 64.87 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.042 -1.036 . . . . 0.0 112.386 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.33 -31.27 47.15 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-O 118.453 -1.193 . . . . 0.0 113.424 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.11 -40.76 44.67 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.336 1.068 . . . . 0.0 111.418 164.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.33 -48.19 81.35 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 120.154 1.343 . . . . 0.0 111.542 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.31 -39.36 89.25 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.097 0.862 . . . . 0.0 112.602 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -26.43 62.35 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.352 1.061 . . . . 0.0 113.67 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -88.63 -25.31 22.49 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.33 1.052 . . . . 0.0 112.887 175.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m -59.85 -19.52 51.61 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -72.11 -22.26 61.36 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.988 -1.07 . . . . 0.0 113.623 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -84.4 -31.6 24.59 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.593 0.757 . . . . 0.0 112.115 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.09 -169.47 41.3 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-O 122.328 0.96 . . . . 0.0 114.32 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -95.18 129.11 42.42 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 125.783 1.633 . . . . 0.0 110.871 -172.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.6 mm -101.09 137.23 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.326 1.45 . . . . 0.0 112.012 -165.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -110.64 -14.55 14.03 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.768 1.227 . . . . 0.0 112.916 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -152.12 144.09 23.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.329 0.968 . . . . 0.0 111.518 170.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.15 112.36 7.71 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.527 1.531 . . . . 0.0 107.282 161.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 43.6 tptt -103.13 141.79 35.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.163 1.385 . . . . 0.0 110.437 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.61 138.38 50.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 125.645 1.578 . . . . 0.0 109.968 168.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 tp . . . . . 0 CA--C 1.544 0.745 0 CA-C-O 122.229 1.014 . . . . 0.0 112.129 170.631 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.8 m . . . . . 0 C--O 1.236 0.393 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -67.29 -30.48 70.35 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.249 1.02 . . . . 0.0 111.711 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.23 29.02 51.91 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.038 0.828 . . . . 0.0 115.071 166.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -155.21 175.89 13.26 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.75 1.22 . . . . 0.0 111.84 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.6 -149.03 7.64 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.247 0.927 . . . . 0.0 112.936 162.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.524 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 18.0 m-85 -114.09 158.76 20.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.547 1.539 . . . . 0.0 111.891 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.79 138.98 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.485 1.114 . . . . 0.0 110.023 165.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 p -125.92 142.39 51.54 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.142 0.883 . . . . 0.0 113.015 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -103.78 168.89 8.85 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.719 1.208 . . . . 0.0 112.244 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m -88.77 -29.08 20.05 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.044 1.338 . . . . 0.0 112.42 167.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -138.53 151.04 46.98 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.158 1.383 . . . . 0.0 112.646 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -80.61 -29.74 36.81 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -72.25 -35.71 68.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.074 -1.016 . . . . 0.0 111.335 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.89 97.6 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.478 0.711 . . . . 0.0 111.461 169.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.0 ttp -58.85 -40.68 84.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.815 0.846 . . . . 0.0 112.117 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.24 -44.89 58.69 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.36 -0.837 . . . . 0.0 112.957 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.3 -31.99 73.41 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.945 -0.55 . . . . 0.0 111.425 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.96 -59.39 3.54 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.268 0.627 . . . . 0.0 111.411 171.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.6 mt -51.52 -42.53 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 125.126 1.37 . . . . 0.0 112.142 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.87 -39.05 68.26 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.904 0.881 . . . . 0.0 112.918 171.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.85 6.33 81.92 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 127.05 2.262 . . . . 0.0 115.77 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.0 mmt -113.22 -33.59 5.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.877 1.838 . . . . 0.0 113.156 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -56.15 105.27 0.18 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.657 0.783 . . . . 0.0 110.341 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.08 15.46 81.07 Favored Glycine 0 CA--C 1.534 1.257 0 N-CA-C 116.469 1.348 . . . . 0.0 116.469 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -72.99 175.17 6.88 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.127 1.964 . . . . 0.0 112.17 172.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.27 139.95 35.21 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.249 1.02 . . . . 0.0 110.664 154.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.63 135.9 33.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.766 1.626 . . . . 0.0 109.273 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.8 t0 50.15 25.3 1.7 Allowed 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -167.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.51 3.37 90.65 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.96 1.743 . . . . 0.0 115.721 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -112.01 146.83 37.2 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.924 1.69 . . . . 0.0 109.77 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.2 m -55.37 129.7 39.62 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.477 1.035 . . . . 0.0 111.327 170.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.2 tt -101.72 144.59 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.346 1.059 . . . . 0.0 111.659 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.1 t -128.99 140.38 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 126.412 1.885 . . . . 0.0 109.429 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.4 m -126.85 151.07 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.158 1.383 . . . . 0.0 112.605 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -156.23 158.32 37.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.663 1.185 . . . . 0.0 111.811 162.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -56.35 149.34 16.84 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.256 1.022 . . . . 0.0 111.844 170.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.904 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -172.828 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.595 0 CA-C-O 122.442 1.115 . . . . 0.0 109.689 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -142.59 145.92 34.04 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.842 2.057 . . . . 0.0 110.722 -176.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.7 p -143.98 150.73 38.74 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -73.54 141.73 46.69 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.659 1.184 . . . . 0.0 110.904 164.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.44 145.81 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.51 1.924 . . . . 0.0 111.425 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.29 124.63 1.3 Allowed Glycine 0 N--CA 1.468 0.772 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 170.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.8 p -162.24 24.18 0.11 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.435 2.294 . . . . 0.0 111.564 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.77 168.88 10.38 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.709 1.243 . . . . 0.0 111.875 -166.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -136.71 177.05 8.16 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.946 2.499 . . . . 0.0 109.09 173.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -50.76 -21.46 1.65 Allowed 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 169.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -93.48 -32.25 14.26 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.494 1.117 . . . . 0.0 113.843 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.03 153.08 29.05 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.223 0.92 . . . . 0.0 111.854 174.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.05 -160.73 1.21 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 169.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -49.14 -31.87 9.03 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.426 1.09 . . . . 0.0 113.906 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -35.46 80.6 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.407 1.003 . . . . 0.0 112.142 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.3 -39.11 62.45 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.044 0.83 . . . . 0.0 112.798 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.31 -39.75 85.93 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.508 0.723 . . . . 0.0 112.357 171.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.98 -45.32 93.07 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.959 0.904 . . . . 0.0 110.577 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.02 89.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.649 0.78 . . . . 0.0 112.668 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -33.07 72.93 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -175.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -103.34 -13.06 16.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 174.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -55.37 -22.21 18.64 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 m -83.1 -11.39 58.04 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.548 1.539 . . . . 0.0 114.747 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -93.76 -39.58 10.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.108 1.363 . . . . 0.0 112.278 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.27 -160.44 23.1 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 123.94 0.781 . . . . 0.0 112.384 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -90.39 133.71 34.82 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 122.047 -0.678 . . . . 0.0 112.376 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 mm -75.02 136.22 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 125.045 1.338 . . . . 0.0 110.43 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.9 mt -113.03 -16.16 12.7 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.255 167.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -153.73 148.34 26.27 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.933 1.697 . . . . 0.0 112.404 169.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.94 137.42 33.08 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.529 1.132 . . . . 0.0 109.909 157.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -125.94 141.52 51.93 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.397 2.279 . . . . 0.0 109.943 -176.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.9 139.0 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.125 1.37 . . . . 0.0 109.585 166.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 tt . . . . . 0 CA--C 1.544 0.745 0 CA-C-O 122.693 1.235 . . . . 0.0 112.366 166.725 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmp_? -70.8 -30.81 67.37 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.65 -0.656 . . . . 0.0 111.083 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.21 22.74 67.4 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 123.819 0.723 . . . . 0.0 113.517 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -135.97 172.57 12.81 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 127.115 2.166 . . . . 0.0 111.019 -168.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.29 -177.01 41.48 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 125.237 1.399 . . . . 0.0 113.72 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -113.48 154.85 26.36 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.562 1.145 . . . . 0.0 110.351 162.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.41 143.55 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.435 1.094 . . . . 0.0 109.555 170.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 p -129.07 143.98 51.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.23 1.014 . . . . 0.0 112.778 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.12 -172.65 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 127.015 2.126 . . . . 0.0 110.518 -170.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 p -123.98 -10.39 7.67 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -144.1 151.08 39.11 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.374 1.443 . . . . 0.0 114.361 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -70.4 -42.48 71.62 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.3 1.44 . . . . 0.0 113.46 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -71.53 -35.47 70.69 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.918 -1.114 . . . . 0.0 111.617 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.33 -44.74 94.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.405 1.082 . . . . 0.0 111.531 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.6 ttt -57.01 -40.39 76.53 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.193 0.597 . . . . 0.0 111.742 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -80.05 -29.87 39.31 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.877 1.217 . . . . 0.0 113.707 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -67.79 -34.51 76.91 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.271 0.941 . . . . 0.0 110.006 168.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.23 -58.23 3.46 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.4 mm -58.2 -37.38 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 120.217 1.371 . . . . 0.0 112.802 -174.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -72.57 -26.37 61.69 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.79 1.177 . . . . 0.0 113.67 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.8 -7.49 59.97 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.822 1.677 . . . . 0.0 115.685 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.1 mmt -91.96 -41.55 10.51 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.622 1.569 . . . . 0.0 112.562 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -65.88 113.48 4.4 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.628 -0.67 . . . . 0.0 111.529 -163.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.26 5.03 83.27 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 118.103 -1.387 . . . . 0.0 116.112 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -59.04 132.95 55.56 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.118 1.959 . . . . 0.0 110.129 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -75.04 108.48 7.8 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 167.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 tt -132.93 132.51 42.08 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.957 1.703 . . . . 0.0 111.197 -170.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.8 t70 51.43 20.31 0.97 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.231 1.413 . . . . 0.0 114.66 -172.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.82 11.84 61.33 Favored Glycine 0 CA--C 1.541 1.702 0 N-CA-C 116.42 1.328 . . . . 0.0 116.42 -174.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -134.67 162.12 33.22 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.234 1.814 . . . . 0.0 111.015 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 t -88.76 124.07 33.78 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.056 -1.027 . . . . 0.0 111.328 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.1 tt -88.46 153.72 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-O 121.777 0.799 . . . . 0.0 113.074 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.97 144.22 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.321 1.849 . . . . 0.0 108.248 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -132.33 139.12 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.075 0.95 . . . . 0.0 112.701 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -157.03 149.0 22.73 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.494 0.718 . . . . 0.0 112.931 161.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.49 153.82 15.22 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.204 1.801 . . . . 0.0 114.119 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.194 0 C-N-CA 125.503 1.521 . . . . 0.0 113.274 -178.26 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 121.73 0.776 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -142.13 136.72 30.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.471 1.909 . . . . 0.0 110.961 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.8 p -147.36 158.08 43.83 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.943 0.897 . . . . 0.0 113.226 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -95.86 149.42 21.55 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.295 2.238 . . . . 0.0 111.79 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.19 131.7 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.619 1.567 . . . . 0.0 112.251 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.02 135.52 12.7 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.678 1.132 . . . . 0.0 110.807 160.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p 170.22 -13.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 126.196 1.798 . . . . 0.0 114.735 171.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.42 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 10.1 mt -79.12 158.15 27.81 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.695 -1.253 . . . . 0.0 112.742 -163.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 m -140.54 175.67 9.41 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 128.614 2.766 . . . . 0.0 109.885 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -48.36 -30.47 4.98 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -100.29 -2.68 33.06 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.683 1.193 . . . . 0.0 113.904 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.34 154.88 18.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.057 0.943 . . . . 0.0 110.175 162.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -148.08 -172.12 3.99 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.917 0.887 . . . . 0.0 110.281 162.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -54.21 -44.81 71.97 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.971 1.309 . . . . 0.0 113.805 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -57.54 -43.6 84.54 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.44 -31.08 77.77 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 119.5 -0.611 . . . . 0.0 113.869 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.87 -38.81 52.93 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.026 0.913 . . . . 0.0 111.791 168.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.51 -41.82 86.31 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.757 1.162 . . . . 0.0 111.122 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.45 -41.12 96.71 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.851 0.861 . . . . 0.0 112.693 174.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.32 -24.37 63.0 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -88.14 -29.6 20.45 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.365 1.466 . . . . 0.0 113.956 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 m -61.5 -21.56 64.32 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.67 -0.643 . . . . 0.0 111.51 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 m -62.16 -18.87 62.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.919 1.687 . . . . 0.0 114.351 171.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.76 -35.09 11.09 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.857 -1.152 . . . . 0.0 113.922 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.8 -158.0 26.66 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 119.005 0.82 . . . . 0.0 114.625 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.83 130.94 37.29 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 122.266 1.031 . . . . 0.0 113.437 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.3 tt -118.95 139.24 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 126.213 1.805 . . . . 0.0 112.313 -170.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -106.2 -31.33 8.71 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.746 1.218 . . . . 0.0 113.219 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -168.44 155.78 7.82 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.535 1.134 . . . . 0.0 111.242 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.76 147.09 51.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.529 0.731 . . . . 0.0 109.286 152.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -107.03 138.49 43.09 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.499 1.52 . . . . 0.0 110.09 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.2 144.35 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.644 1.178 . . . . 0.0 110.248 162.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' HB2' ' A' ' 50' ' ' ARG . 9.1 tp . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 122.869 1.318 . . . . 0.0 113.371 166.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 CA--C 1.535 0.377 0 CA-C-O 120.834 0.349 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.552 ' HB2' HG23 ' A' ' 41' ' ' ILE . 9.6 mmm180 -75.33 -32.13 60.81 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.865 -1.147 . . . . 0.0 110.593 167.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.42 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 78.94 14.24 82.21 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.96 1.743 . . . . 0.0 115.483 165.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -132.43 171.78 13.31 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.657 1.583 . . . . 0.0 111.758 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.68 173.47 36.42 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.159 1.361 . . . . 0.0 113.026 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -115.75 159.78 20.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.41 0.684 . . . . 0.0 111.538 160.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 p -134.76 146.82 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.758 1.623 . . . . 0.0 110.364 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -137.3 142.92 41.89 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.152 0.981 . . . . 0.0 112.957 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -122.44 159.75 26.96 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.73 1.612 . . . . 0.0 112.992 -169.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.9 m -70.77 -24.63 62.63 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 171.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -137.28 151.65 48.91 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.99 1.316 . . . . 0.0 112.239 -168.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -72.81 -44.72 61.14 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.763 1.225 . . . . 0.0 111.645 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -65.07 -32.03 73.53 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.873 -0.585 . . . . 0.0 111.909 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.95 83.56 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.538 0.735 . . . . 0.0 111.546 173.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.0 ttp -61.25 -44.71 96.8 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.367 0.531 . . . . 0.0 111.742 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -72.23 -37.57 69.15 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.624 -0.672 . . . . 0.0 112.277 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.2 -27.33 61.56 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.711 0.805 . . . . 0.0 111.952 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.73 -57.3 7.4 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.022 0.529 . . . . 0.0 111.031 169.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.0 mt -51.3 -45.33 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.833 1.253 . . . . 0.0 111.671 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -61.5 -30.56 70.7 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.847 0.859 . . . . 0.0 113.128 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.18 -15.0 63.25 Favored Glycine 0 CA--C 1.539 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 115.307 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.3 mmt -95.65 -31.56 13.2 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -166.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -61.16 100.0 0.11 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.681 1.128 . . . . 0.0 111.602 -172.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.83 5.14 66.68 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-O 117.439 -1.756 . . . . 0.0 116.652 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -59.95 139.18 57.58 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 120.631 2.215 . . . . 0.0 111.126 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -80.19 125.38 29.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 110.242 166.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 tp -146.26 137.6 24.6 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 125.09 1.356 . . . . 0.0 110.599 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.3 t0 48.63 24.4 0.78 Allowed 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -172.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.88 16.83 80.43 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 126.181 1.848 . . . . 0.0 116.39 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -124.22 160.51 27.75 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.171 1.788 . . . . 0.0 111.235 174.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.7 m -94.55 126.77 40.04 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.083 0.553 . . . . 0.0 111.01 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.4 mt -75.63 146.56 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.435 1.094 . . . . 0.0 112.201 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.7 t -127.1 135.68 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.354 1.462 . . . . 0.0 109.161 163.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.84 139.07 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.805 1.642 . . . . 0.0 112.836 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -151.74 152.54 32.86 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 164.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 142.46 56.96 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.788 1.235 . . . . 0.0 113.444 176.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -179.121 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 123.884 1.802 . . . . 0.0 109.772 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -143.2 142.13 31.33 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 129.862 3.265 . . . . 0.0 107.071 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.84 153.31 47.57 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.929 0.786 . . . . 0.0 111.885 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -88.3 146.53 25.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.965 1.706 . . . . 0.0 109.76 168.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 t -135.15 103.59 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.298 1.439 . . . . 0.0 109.12 -166.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.98 118.22 6.11 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 172.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 p -175.85 -34.18 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.0 mt -66.6 167.04 11.65 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 123.419 1.58 . . . . 0.0 113.602 -162.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -148.21 175.16 11.28 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.293 1.837 . . . . 0.0 110.293 -171.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -46.7 -33.58 4.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.321 1.849 . . . . 0.0 114.527 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -98.11 -15.49 19.94 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.13 147.25 23.2 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 119.994 1.27 . . . . 0.0 112.772 -178.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -146.24 -174.37 4.43 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -50.31 -49.78 52.69 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.947 1.699 . . . . 0.0 113.463 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -26.79 65.0 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.58 -45.8 10.55 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.81 1.195 . . . . 0.0 113.656 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.17 -38.23 81.84 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.094 1.447 . . . . 0.0 110.85 172.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.54 -47.1 66.94 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.86 0.864 . . . . 0.0 111.658 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.77 87.91 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.409 1.004 . . . . 0.0 113.586 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.0 -41.05 62.48 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.431 0.692 . . . . 0.0 112.089 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -70.08 -29.3 66.25 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.851 -1.155 . . . . 0.0 112.433 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.0 t -64.71 -20.07 66.12 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.43 1.092 . . . . 0.0 112.953 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -69.47 -13.64 62.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.486 1.114 . . . . 0.0 113.85 172.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -98.76 -42.39 7.23 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.583 1.153 . . . . 0.0 112.192 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.74 -174.48 38.7 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 115.143 0.817 . . . . 0.0 115.143 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.54 129.82 37.01 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.211 1.804 . . . . 0.0 112.345 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mm -105.27 144.31 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.598 1.559 . . . . 0.0 112.985 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.1 mt -102.65 -46.12 4.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.749 1.62 . . . . 0.0 113.034 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -154.6 152.91 30.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.329 1.052 . . . . 0.0 112.146 -169.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.46 142.65 37.37 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.023 1.329 . . . . 0.0 111.031 160.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -107.62 148.07 29.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.896 2.078 . . . . 0.0 109.156 171.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.46 144.81 31.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 125.077 1.351 . . . . 0.0 108.47 162.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' ' 50' ' ' ARG . 5.4 tp . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 122.611 1.196 . . . . 0.0 112.071 172.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 121.704 0.764 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HB2' HG23 ' A' ' 41' ' ' ILE . 5.4 mmp_? -72.73 -24.37 60.97 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.986 -1.071 . . . . 0.0 112.719 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.54 33.11 61.23 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 118.465 0.575 . . . . 0.0 114.534 165.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -150.82 172.65 15.29 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.367 1.467 . . . . 0.0 111.2 173.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.4 -179.61 37.93 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.556 1.074 . . . . 0.0 113.761 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.02 160.56 18.0 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.594 1.158 . . . . 0.0 110.767 164.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.55 142.21 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.078 1.751 . . . . 0.0 109.932 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.1 t -135.2 138.66 43.84 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.325 0.966 . . . . 0.0 113.365 -172.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -115.36 162.34 17.26 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.966 1.707 . . . . 0.0 112.781 -175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.5 p -94.24 -6.1 45.38 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -139.66 151.27 45.81 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.545 1.066 . . . . 0.0 113.173 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.21 -41.44 90.15 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.221 1.808 . . . . 0.0 113.12 -173.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -78.78 -22.43 46.38 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.002 0.921 . . . . 0.0 112.754 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.13 -46.72 66.93 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.55 -1.344 . . . . 0.0 110.891 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.9 tpt -48.8 -52.31 24.69 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.25 1.82 . . . . 0.0 112.849 169.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -84.09 -26.96 28.56 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -73.01 -26.87 61.48 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.895 -1.128 . . . . 0.0 111.722 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.42 -60.31 2.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.564 0.745 . . . . 0.0 111.504 168.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.9 mt -46.84 -48.23 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.159 1.384 . . . . 0.0 112.903 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.95 -21.74 64.17 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.37 -38.42 21.55 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.251 -0.905 . . . . 0.0 113.216 165.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 22.5 mmt -73.96 -31.96 63.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.388 1.875 . . . . 0.0 114.244 -174.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -58.03 104.5 0.2 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.725 0.81 . . . . 0.0 110.713 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.92 19.41 75.29 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 115.856 1.103 . . . . 0.0 115.856 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -78.26 -170.57 2.05 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.167 1.484 . . . . 0.0 112.965 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -129.86 110.48 11.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.953 1.701 . . . . 0.0 110.472 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mp -125.28 141.34 52.14 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.204 1.802 . . . . 0.0 109.552 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 52.63 25.4 3.68 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.646 1.179 . . . . 0.0 113.628 -172.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.2 12.3 72.02 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 120.74 -1.225 . . . . 0.0 114.574 -173.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -112.67 161.88 16.35 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 127.336 2.254 . . . . 0.0 109.755 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -67.94 148.9 50.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.703 0.401 . . . . 0.0 111.588 163.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.5 tt -129.42 147.31 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.793 1.237 . . . . 0.0 111.744 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.6 t -130.75 141.57 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.989 2.116 . . . . 0.0 108.313 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 m -124.52 150.37 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.113 1.365 . . . . 0.0 112.041 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -143.75 157.81 44.13 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.492 0.663 . . . . 0.0 111.049 154.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -59.38 142.03 53.18 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.642 0.777 . . . . 0.0 111.881 164.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.457 0 O-C-N 121.284 -0.885 . . . . 0.0 113.082 -173.113 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.0 ttp-105 -143.41 138.0 29.04 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.159 1.384 . . . . 0.0 112.888 -175.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -139.54 154.25 47.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.811 1.244 . . . . 0.0 113.486 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -77.13 145.62 37.66 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.902 2.081 . . . . 0.0 111.733 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.45 109.14 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.597 1.559 . . . . 0.0 111.474 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.21 117.37 5.5 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 166.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.94 2.12 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.906 1.282 . . . . 0.0 114.332 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.6 mt -99.49 165.96 11.39 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.867 -1.146 . . . . 0.0 111.642 -170.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.3 p -125.97 -179.97 4.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 127.468 2.307 . . . . 0.0 109.217 166.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.6 p-90 -57.72 -15.41 7.85 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 167.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -93.63 -35.32 12.92 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.66 156.58 39.21 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.765 0.711 . . . . 0.0 110.75 174.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -147.46 -170.26 3.52 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 166.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.08 -24.28 64.47 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -73.22 -22.01 60.53 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.127 -0.983 . . . . 0.0 113.383 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.02 73.09 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-N 118.825 0.739 . . . . 0.0 112.214 168.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.96 -44.34 73.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.152 0.981 . . . . 0.0 112.559 168.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -56.39 -38.4 71.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.001 0.92 . . . . 0.0 111.438 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -51.05 26.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.327 0.651 . . . . 0.0 112.66 171.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.76 -31.01 66.08 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -98.0 -14.3 20.63 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.729 1.212 . . . . 0.0 113.929 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 m -63.36 -19.93 65.08 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -59.26 -33.79 71.47 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.645 1.178 . . . . 0.0 113.407 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -89.13 -29.44 19.35 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.24 -172.56 39.54 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 116.449 1.34 . . . . 0.0 116.449 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -72.57 126.11 29.09 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.543 1.137 . . . . 0.0 109.173 170.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.6 tp -109.58 146.0 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.461 1.104 . . . . 0.0 110.972 -166.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -109.52 -54.71 2.52 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.823 0.849 . . . . 0.0 111.569 -170.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.7 167.11 31.0 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.31 151.74 35.9 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.028 155.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.88 148.01 24.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.98 2.112 . . . . 0.0 109.551 173.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.6 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.65 1.18 . . . . 0.0 110.192 168.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 50' ' ' ARG . 9.9 tp . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 123.95 0.9 . . . . 0.0 112.967 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.164 0.507 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.497 ' HB2' HG23 ' A' ' 41' ' ' ILE . 9.2 mmm180 -70.17 -34.78 73.4 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.27 -0.894 . . . . 0.0 111.368 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.65 23.74 73.9 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.092 0.797 . . . . 0.0 115.092 169.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -136.51 171.34 14.63 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.714 1.606 . . . . 0.0 111.577 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.31 -178.64 28.07 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 124.769 1.176 . . . . 0.0 113.12 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -112.45 154.65 25.52 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.122 0.969 . . . . 0.0 109.191 159.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.9 p -135.26 145.8 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.104 1.362 . . . . 0.0 110.116 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -138.64 142.46 39.06 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.284 1.033 . . . . 0.0 113.597 -170.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -114.28 168.64 9.66 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.291 2.237 . . . . 0.0 112.059 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.6 p -99.15 -10.15 22.87 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 172.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -140.44 158.73 43.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.305 1.442 . . . . 0.0 114.193 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -71.67 -39.95 69.93 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.624 1.57 . . . . 0.0 112.157 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.15 -34.94 74.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.182 0.993 . . . . 0.0 112.565 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.47 -48.59 11.67 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.908 0.883 . . . . 0.0 111.944 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.8 tpt -46.33 -55.96 6.52 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.969 1.708 . . . . 0.0 112.711 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -84.74 -28.4 26.29 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.88 -31.18 64.52 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.866 -0.521 . . . . 0.0 111.647 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.62 -56.14 15.79 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.38 0.536 . . . . 0.0 110.662 170.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.8 mt -52.03 -49.49 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.237 1.015 . . . . 0.0 112.182 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -65.4 -18.28 65.19 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.43 -12.15 45.8 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.267 1.413 . . . . 0.0 115.058 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.7 mmt -86.92 -42.97 12.76 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.166 1.483 . . . . 0.0 114.539 -167.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -62.78 106.49 0.81 Allowed 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 118.938 0.79 . . . . 0.0 112.712 -161.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.88 -6.58 54.5 Favored Glycine 0 CA--C 1.539 1.584 0 N-CA-C 117.317 1.687 . . . . 0.0 117.317 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -63.53 155.54 29.11 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 120.708 2.254 . . . . 0.0 111.898 173.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -84.96 112.28 20.45 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.499 0.666 . . . . 0.0 111.941 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.26 126.52 45.27 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.445 1.498 . . . . 0.0 109.212 176.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.2 t70 48.86 32.73 3.9 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.528 1.931 . . . . 0.0 114.325 -162.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.4 70.2 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.63 1.109 . . . . 0.0 115.615 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -105.58 149.2 26.49 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.306 1.842 . . . . 0.0 110.426 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.9 m -78.99 112.16 15.91 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tt -72.44 154.24 7.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 122.044 0.926 . . . . 0.0 112.312 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.1 t -126.14 130.52 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 125.267 1.427 . . . . 0.0 107.84 168.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 m -117.09 137.89 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.437 1.095 . . . . 0.0 111.916 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -153.89 153.79 32.71 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.906 0.882 . . . . 0.0 111.841 158.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.07 142.77 53.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.417 1.087 . . . . 0.0 113.867 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 124.737 1.215 . . . . 0.0 114.214 -175.501 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 CA-C-O 122.267 1.032 . . . . 0.0 112.097 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -144.02 154.23 43.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.294 1.438 . . . . 0.0 111.35 165.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.4 p -126.02 152.71 45.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.55 0.69 . . . . 0.0 112.377 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -81.31 145.16 31.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.541 1.936 . . . . 0.0 110.168 170.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.79 145.67 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 126.433 1.893 . . . . 0.0 109.807 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.97 140.66 8.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 121.951 -0.468 . . . . 0.0 113.475 167.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.04 -16.1 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.354 2.662 . . . . 0.0 112.931 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 3.1 mt -74.96 166.72 23.2 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 122.475 1.131 . . . . 0.0 113.265 -158.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -144.69 179.43 7.31 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 128.849 2.859 . . . . 0.0 107.959 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.1 p90 -53.36 -15.11 0.89 Allowed 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -85.47 -38.53 18.51 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.578 1.151 . . . . 0.0 113.446 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.94 142.4 27.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.866 1.266 . . . . 0.0 112.91 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -148.07 -168.38 3.06 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -59.1 -20.13 50.74 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -56.05 26.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.351 1.06 . . . . 0.0 110.598 168.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.0 -41.89 94.99 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.482 1.039 . . . . 0.0 112.828 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.92 -45.16 94.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.487 1.144 . . . . 0.0 112.458 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.71 -47.67 83.78 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.694 -0.629 . . . . 0.0 111.488 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.02 72.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.035 0.534 . . . . 0.0 111.928 -175.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -28.54 68.96 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.347 -0.846 . . . . 0.0 113.259 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -90.44 -23.57 20.97 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 m -54.81 -26.43 34.8 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -57.07 -36.06 70.11 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.148 0.979 . . . . 0.0 113.071 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -88.9 -26.1 21.76 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.135 1.374 . . . . 0.0 112.912 -173.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.75 163.4 29.44 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 125.441 1.496 . . . . 0.0 110.761 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -68.93 133.04 47.66 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.226 1.013 . . . . 0.0 111.584 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 mm -93.6 133.24 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.093 1.357 . . . . 0.0 111.425 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.99 -26.9 14.86 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.479 1.112 . . . . 0.0 112.753 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -161.57 154.9 21.2 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.328 1.051 . . . . 0.0 111.264 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.05 150.72 35.63 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.042 1.337 . . . . 0.0 109.964 164.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -124.47 132.07 53.49 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.809 1.644 . . . . 0.0 111.406 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -102.33 140.63 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.751 1.22 . . . . 0.0 108.519 160.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.257 10.2 tp . . . . . 0 C--O 1.241 0.615 0 CA-C-O 123.757 1.741 . . . . 0.0 112.83 168.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -68.46 -41.79 79.7 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 119.513 1.052 . . . . 0.0 109.407 163.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.449 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 85.28 14.81 67.98 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.531 1.063 . . . . 0.0 114.435 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -118.13 169.71 9.46 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.555 1.942 . . . . 0.0 110.029 174.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.85 177.88 41.39 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.44 1.019 . . . . 0.0 113.791 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -114.27 158.21 21.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.715 1.206 . . . . 0.0 111.094 166.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.5 p -143.49 136.53 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.461 1.104 . . . . 0.0 110.733 167.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -121.83 129.05 52.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.296 1.438 . . . . 0.0 113.195 -166.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -93.1 -179.87 5.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.909 1.284 . . . . 0.0 113.486 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -105.51 -11.9 16.2 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.1 2.16 . . . . 0.0 114.488 173.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -152.46 159.38 43.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.823 1.649 . . . . 0.0 112.552 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.57 -43.97 79.35 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.097 1.359 . . . . 0.0 112.596 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -74.37 -33.19 63.01 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.143 0.977 . . . . 0.0 112.516 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.17 76.46 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.887 0.767 . . . . 0.0 112.033 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.11 -45.31 91.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.604 0.762 . . . . 0.0 111.765 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -73.94 -43.09 59.43 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.802 -0.561 . . . . 0.0 112.51 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -60.58 -36.06 77.61 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.261 1.025 . . . . 0.0 111.627 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.53 -57.63 4.56 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.063 0.545 . . . . 0.0 111.748 173.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.3 mt -51.08 -44.37 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.827 1.251 . . . . 0.0 111.96 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -69.24 -19.64 63.94 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.899 -1.125 . . . . 0.0 113.651 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.9 -3.04 58.2 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 126.903 2.192 . . . . 0.0 115.491 172.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.4 mmt -103.41 -28.22 11.94 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.191 1.797 . . . . 0.0 113.5 -174.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -54.75 97.61 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.101 1.36 . . . . 0.0 114.102 -168.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.44 8.42 66.06 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -65.42 157.23 29.94 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.023 1.911 . . . . 0.0 113.296 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -90.92 112.02 23.7 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.79 0.836 . . . . 0.0 110.415 169.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.65 133.51 52.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.861 1.264 . . . . 0.0 107.979 165.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.5 t0 50.57 28.65 3.56 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -172.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.74 3.93 90.33 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.754 1.645 . . . . 0.0 115.363 -174.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -115.72 127.07 54.86 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.396 1.879 . . . . 0.0 111.029 -170.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.6 m -78.42 110.23 13.3 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.838 0.855 . . . . 0.0 112.987 -170.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.7 pt -80.89 159.23 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.541 1.536 . . . . 0.0 114.403 -168.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.34 135.39 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.077 1.351 . . . . 0.0 108.749 166.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -120.54 130.52 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.905 2.082 . . . . 0.0 112.515 -174.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -156.34 156.58 34.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.587 1.155 . . . . 0.0 112.48 169.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -59.11 153.2 18.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.91 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 176.196 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 123.864 1.793 . . . . 0.0 108.569 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -145.99 133.88 21.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 129.671 3.189 . . . . 0.0 106.905 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -131.28 151.06 51.86 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.939 0.79 . . . . 0.0 113.101 -172.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -71.74 141.67 49.77 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.479 1.512 . . . . 0.0 109.856 165.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -132.42 99.16 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.305 1.442 . . . . 0.0 108.898 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.48 135.41 12.86 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.182 0.896 . . . . 0.0 111.199 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p 169.18 -35.43 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 126.744 2.018 . . . . 0.0 112.163 170.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.06 170.18 2.32 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 124.354 2.026 . . . . 0.0 114.355 -157.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.5 m -155.83 174.57 15.13 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.538 1.935 . . . . 0.0 108.414 -176.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -54.4 -25.96 27.65 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.748 1.158 . . . . 0.0 113.96 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -85.82 -21.64 28.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.222 2.209 . . . . 0.0 113.84 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.46 152.7 18.92 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.109 1.364 . . . . 0.0 112.356 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -148.82 -170.86 3.73 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 166.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.15 -28.48 64.75 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -176.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -65.55 -38.97 91.12 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.116 0.871 . . . . 0.0 112.025 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.22 -44.25 76.56 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.537 1.065 . . . . 0.0 112.962 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -69.15 -39.82 78.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 117.945 0.873 . . . . 0.0 112.006 172.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.32 -45.26 76.34 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.742 1.155 . . . . 0.0 110.897 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.87 -31.21 72.33 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.1 -36.51 61.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.294 0.638 . . . . 0.0 112.269 174.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -83.11 -24.12 32.76 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.6 t -59.77 -23.09 62.98 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.8 p -76.5 -11.3 59.85 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.864 -1.148 . . . . 0.0 113.506 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -95.67 -24.57 16.49 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.807 1.243 . . . . 0.0 112.81 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.88 -177.03 47.08 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.628 1.011 . . . . 0.0 115.628 175.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -74.48 116.05 14.72 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.958 0.903 . . . . 0.0 110.795 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.5 mm -81.22 143.77 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.647 1.179 . . . . 0.0 112.229 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.45 -44.52 6.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.963 1.305 . . . . 0.0 111.941 169.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -146.28 149.47 33.93 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -173.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.53 128.18 21.6 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.919 1.287 . . . . 0.0 109.137 159.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -105.65 153.37 21.91 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.989 1.716 . . . . 0.0 109.72 173.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.07 141.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 125.335 1.454 . . . . 0.0 109.532 167.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 123.847 0.859 . . . . 0.0 112.832 169.463 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -81.76 -32.12 31.61 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.337 -0.852 . . . . 0.0 111.153 163.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.02 37.51 93.22 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.275 0.941 . . . . 0.0 114.186 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -150.21 176.0 11.26 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.977 1.311 . . . . 0.0 111.666 172.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.6 -173.89 30.8 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.527 1.537 . . . . 0.0 112.236 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -116.34 159.91 21.25 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.295 0.638 . . . . 0.0 112.443 161.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.08 145.1 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.627 1.571 . . . . 0.0 109.883 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 136.33 47.04 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 119.483 1.038 . . . . 0.0 112.519 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -103.08 158.05 16.57 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.549 1.539 . . . . 0.0 112.794 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m -75.95 -27.6 57.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.666 1.186 . . . . 0.0 112.859 170.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -136.89 151.78 49.47 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.89 -51.47 26.01 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.479 1.512 . . . . 0.0 113.621 -168.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -70.68 -26.17 63.31 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.287 -0.883 . . . . 0.0 112.399 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.61 74.15 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.827 1.651 . . . . 0.0 111.843 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.8 tpt -58.39 -41.75 85.56 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.442 0.697 . . . . 0.0 111.487 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -70.56 -43.74 68.87 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.464 0.705 . . . . 0.0 111.846 -178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.07 -28.68 69.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.973 0.509 . . . . 0.0 111.914 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.92 -53.85 16.04 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.547 0.739 . . . . 0.0 111.815 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.5 mt -50.52 -46.96 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.531 1.132 . . . . 0.0 110.984 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.56 -18.4 40.5 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.129 1.372 . . . . 0.0 114.099 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.01 0.94 27.07 Favored Glycine 0 CA--C 1.542 1.748 0 C-N-CA 126.186 1.85 . . . . 0.0 115.844 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mmt -101.69 -33.94 9.67 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.308 1.554 . . . . 0.0 114.781 -170.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -53.5 113.54 1.2 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.481 0.713 . . . . 0.0 110.974 -173.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.97 6.24 89.08 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 117.722 -1.599 . . . . 0.0 116.772 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -58.82 143.89 45.95 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 120.135 1.967 . . . . 0.0 111.119 172.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -86.64 126.81 34.78 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.777 0.717 . . . . 0.0 111.562 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.43 135.68 27.01 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.556 1.942 . . . . 0.0 109.135 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t70 52.94 21.26 1.94 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -175.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.0 5.49 86.02 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.012 1.292 . . . . 0.0 115.344 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -120.36 163.33 18.02 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.724 2.41 . . . . 0.0 110.661 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.4 p -98.64 134.81 41.04 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.798 1.239 . . . . 0.0 112.342 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.5 mt -80.42 141.46 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.045 0.938 . . . . 0.0 112.315 -177.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.5 t -123.76 132.72 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.988 1.715 . . . . 0.0 109.342 165.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.01 137.54 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.015 1.326 . . . . 0.0 113.246 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -158.11 158.62 35.05 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.522 1.129 . . . . 0.0 111.248 162.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.4 150.81 25.36 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.416 0.686 . . . . 0.0 112.265 172.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.721 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -165.397 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.741 0.305 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -143.59 156.57 44.62 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 177.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.7 p -142.59 156.7 45.12 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.15 1.38 . . . . 0.0 112.632 -174.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -100.2 139.92 35.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.07 2.148 . . . . 0.0 110.791 174.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 m -135.4 139.28 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.68 1.592 . . . . 0.0 111.951 -173.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.27 124.92 6.23 Favored Glycine 0 N--CA 1.471 1.022 0 CA-C-O 118.846 -0.975 . . . . 0.0 110.902 167.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -171.42 -33.4 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.338 1.455 . . . . 0.0 113.873 -178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 24.8 mt -64.37 156.58 28.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.506 1.522 . . . . 0.0 112.848 -165.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.7 p -122.31 177.2 5.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.705 2.002 . . . . 0.0 109.88 172.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.4 p90 -51.5 -26.71 8.83 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 171.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -102.9 -8.97 20.27 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.58 150.15 26.11 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.154 1.343 . . . . 0.0 110.902 168.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -142.8 -168.29 2.73 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 165.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -55.16 -33.44 62.94 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.283 -0.886 . . . . 0.0 112.631 -176.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -55.85 -40.43 72.85 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.927 1.291 . . . . 0.0 112.197 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.82 -31.1 56.69 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.598 1.094 . . . . 0.0 113.791 -176.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.6 mt -68.46 -55.0 13.32 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 117.94 0.87 . . . . 0.0 109.672 165.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.03 -45.53 64.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.386 1.874 . . . . 0.0 111.802 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.91 -24.02 59.63 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.57 -34.96 27.57 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.066 0.947 . . . . 0.0 112.442 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -84.37 -28.11 27.2 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.694 1.198 . . . . 0.0 113.703 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -59.59 -22.49 61.86 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.26 0.937 . . . . 0.0 112.981 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 m -68.8 -18.55 64.2 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.163 -0.961 . . . . 0.0 113.316 175.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -84.33 -40.52 17.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.127 -0.983 . . . . 0.0 111.926 174.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.86 -170.68 42.01 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.758 0.694 . . . . 0.0 113.794 174.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -61.97 116.47 4.92 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.805 0.842 . . . . 0.0 112.53 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.7 mm -86.13 136.8 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.489 1.116 . . . . 0.0 110.278 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -91.78 -45.22 8.53 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.885 0.874 . . . . 0.0 111.63 173.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.52 155.94 25.08 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.35 149.74 44.53 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.399 0.68 . . . . 0.0 110.642 163.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -104.91 137.28 42.91 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.174 1.39 . . . . 0.0 109.476 171.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.67 144.2 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 124.532 1.133 . . . . 0.0 109.273 158.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.285 10.6 tp . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -97.63 -39.26 9.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.088 0.955 . . . . 0.0 110.109 162.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 87.78 16.26 60.14 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.882 1.23 . . . . 0.0 115.034 169.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -134.9 166.92 21.88 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.001 1.32 . . . . 0.0 111.713 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.9 175.07 38.45 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.727 1.156 . . . . 0.0 113.217 -175.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.88 154.21 27.89 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.56 1.144 . . . . 0.0 110.191 168.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.2 t -139.57 131.85 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.266 1.426 . . . . 0.0 110.494 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.5 m -121.1 132.28 54.77 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.227 1.811 . . . . 0.0 113.035 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -108.95 159.58 16.7 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.06 2.144 . . . . 0.0 112.0 -176.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -84.37 -27.12 27.9 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -143.43 155.88 44.51 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.519 1.527 . . . . 0.0 111.127 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -72.61 -45.88 56.93 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -166.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -66.49 -26.03 66.98 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.0 -1.062 . . . . 0.0 112.983 -170.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.52 72.15 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.847 1.259 . . . . 0.0 112.618 170.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.7 ttp -60.83 -39.49 89.25 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.679 0.672 . . . . 0.0 111.147 172.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -69.84 -44.8 69.16 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.41 0.684 . . . . 0.0 112.208 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.33 -32.24 73.79 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.432 0.693 . . . . 0.0 111.482 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.85 -60.05 3.77 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.656 171.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.47 -39.63 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 O-C-N 120.797 -1.19 . . . . 0.0 112.79 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.3 -28.38 69.69 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.257 1.023 . . . . 0.0 112.929 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.32 -43.22 5.33 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.183 -0.948 . . . . 0.0 114.292 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.4 mmt -69.06 -28.0 66.14 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.078 1.751 . . . . 0.0 115.616 -161.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -55.75 92.23 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.831 1.252 . . . . 0.0 113.974 -171.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.77 8.11 58.4 Favored Glycine 0 CA--C 1.541 1.705 0 C-N-CA 126.418 1.961 . . . . 0.0 116.522 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -73.31 155.94 38.94 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.711 1.756 . . . . 0.0 114.946 -172.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -80.74 101.89 9.59 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.623 1.569 . . . . 0.0 110.919 164.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 tp -129.65 129.5 44.38 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.245 1.418 . . . . 0.0 110.92 -172.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.23 27.9 3.82 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.38 12.71 84.02 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.784 1.183 . . . . 0.0 114.842 -176.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -120.91 155.3 34.49 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.256 2.223 . . . . 0.0 112.035 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.7 p -78.7 111.38 14.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.217 0.607 . . . . 0.0 110.94 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.7 tt -98.1 140.11 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 122.171 0.986 . . . . 0.0 113.625 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 78.0 t -119.58 141.88 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.73 2.012 . . . . 0.0 108.318 172.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.53 141.77 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.934 1.294 . . . . 0.0 113.176 -176.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -152.43 157.14 40.78 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.758 0.823 . . . . 0.0 111.41 155.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.06 153.17 18.4 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.374 1.07 . . . . 0.0 112.915 172.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.916 0 C-N-CA 125.365 1.466 . . . . 0.0 113.276 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 CA--C 1.542 0.659 0 CA-C-O 121.356 0.598 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.2 ttp-105 -136.94 140.71 42.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.403 1.481 . . . . 0.0 111.607 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -142.33 155.99 45.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.526 1.13 . . . . 0.0 113.879 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -81.95 149.69 28.07 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.654 2.781 . . . . 0.0 112.657 176.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.57 132.47 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.375 1.87 . . . . 0.0 112.28 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.29 121.1 2.9 Favored Glycine 0 CA--C 1.54 1.651 0 N-CA-C 115.365 0.906 . . . . 0.0 115.365 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.67 -21.09 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 127.748 2.419 . . . . 0.0 113.918 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 17.4 mt -75.58 163.39 27.4 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.982 1.313 . . . . 0.0 114.248 -148.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -106.04 171.08 7.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.291 1.836 . . . . 0.0 111.41 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -54.27 -14.29 1.12 Allowed 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.55 -1.343 . . . . 0.0 114.281 163.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -115.21 -20.46 10.38 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.37 138.53 38.58 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 120.69 1.586 . . . . 0.0 110.007 174.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -147.94 -170.01 3.47 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.38 -21.22 3.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.352 2.261 . . . . 0.0 115.287 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -81.91 -37.08 27.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.537 1.135 . . . . 0.0 113.599 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.8 -39.57 39.12 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.514 1.054 . . . . 0.0 112.272 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 mt -54.52 -51.39 65.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.563 0.745 . . . . 0.0 111.765 165.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.52 -42.03 70.39 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.667 0.787 . . . . 0.0 112.526 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.33 -43.17 82.24 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.292 0.951 . . . . 0.0 113.117 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.36 81.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.69 0.796 . . . . 0.0 112.092 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -74.38 -24.39 59.13 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.385 -0.822 . . . . 0.0 112.629 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.6 m -61.88 -18.01 58.63 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.225 -0.922 . . . . 0.0 113.3 173.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 t -57.83 -21.35 41.9 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.81 -1.181 . . . . 0.0 113.467 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.12 -33.67 10.69 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.69 -164.9 32.33 Favored Glycine 0 N--CA 1.475 1.238 0 CA-C-N 119.229 0.922 . . . . 0.0 113.121 -174.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -92.56 145.14 24.67 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.597 1.199 . . . . 0.0 112.963 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.4 mm -96.67 141.06 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.837 1.655 . . . . 0.0 111.969 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.3 mt -95.26 -42.71 8.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.964 1.306 . . . . 0.0 111.709 168.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -169.92 159.27 7.72 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.94 152.05 39.6 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.415 1.486 . . . . 0.0 112.063 173.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 60.4 tptt -118.83 145.11 45.92 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.241 1.816 . . . . 0.0 110.953 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.1 145.72 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.426 1.491 . . . . 0.0 108.988 161.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 123.02 1.39 . . . . 0.0 112.133 163.103 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -79.15 -28.28 42.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.603 0.761 . . . . 0.0 112.441 -174.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 76.57 23.17 70.93 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.797 0.713 . . . . 0.0 114.876 171.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -141.51 172.38 12.76 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.563 1.145 . . . . 0.0 112.168 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.64 -177.54 41.39 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.547 1.07 . . . . 0.0 113.631 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.424 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 94.4 m-85 -116.1 158.95 22.41 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.142 1.377 . . . . 0.0 111.569 169.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -145.66 141.87 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.698 1.599 . . . . 0.0 110.641 172.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -133.57 137.57 45.58 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.534 1.534 . . . . 0.0 112.941 -167.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -114.38 153.8 29.2 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.254 1.821 . . . . 0.0 113.988 -172.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.8 p -74.85 -10.41 59.47 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -143.99 156.28 44.34 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.356 1.863 . . . . 0.0 113.034 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -76.65 -43.06 39.69 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.836 1.254 . . . . 0.0 113.323 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -69.88 -36.27 75.32 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.494 -0.754 . . . . 0.0 111.883 -172.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.21 86.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.809 0.843 . . . . 0.0 112.677 168.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 47.7 ttp -62.93 -43.04 99.87 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.643 0.656 . . . . 0.0 111.764 175.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -72.37 -42.22 65.51 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.538 -0.727 . . . . 0.0 112.108 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.59 -34.96 76.52 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.367 0.667 . . . . 0.0 111.724 172.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.69 -58.49 6.72 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.623 0.647 . . . . 0.0 110.781 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.4 mm -50.63 -41.79 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.656 1.183 . . . . 0.0 112.736 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.28 -15.59 63.34 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -114.1 -16.48 7.81 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.833 1.206 . . . . 0.0 115.555 170.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.522 ' HB3' HG11 ' A' ' 82' ' ' VAL . 11.8 mmt -77.39 -26.2 51.58 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -171.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -58.26 100.75 0.07 Allowed 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 120.481 1.491 . . . . 0.0 110.833 174.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.32 7.19 70.03 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.745 1.64 . . . . 0.0 117.061 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -70.74 141.23 51.5 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 120.949 2.374 . . . . 0.0 112.594 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.33 97.04 9.74 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -173.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mp -110.97 125.57 53.84 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.999 1.32 . . . . 0.0 111.301 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t0 48.57 36.54 7.69 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.268 1.427 . . . . 0.0 113.373 -170.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.98 0.53 89.01 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.027 1.775 . . . . 0.0 115.17 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -118.86 124.66 47.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.958 1.703 . . . . 0.0 111.816 -171.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.6 m -66.76 113.94 5.25 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.262 1.425 . . . . 0.0 110.871 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.0 tt -84.52 159.94 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.184 0.993 . . . . 0.0 113.547 -167.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -123.36 138.63 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.34 1.856 . . . . 0.0 108.22 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.522 HG11 ' HB3' ' A' ' 70' ' ' MET . 4.8 m -138.35 142.47 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -170.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -153.74 161.28 42.24 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.595 1.158 . . . . 0.0 111.186 161.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.94 153.79 20.36 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.852 -1.155 . . . . 0.0 113.392 174.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.932 0 C-N-CA 125.748 1.619 . . . . 0.0 112.947 -179.496 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.821 0 CA-C-O 121.932 0.872 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.2 ttm105 -146.94 149.41 33.15 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.315 1.846 . . . . 0.0 111.825 -177.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.91 155.89 49.17 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.507 0.723 . . . . 0.0 112.907 170.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -76.35 149.86 36.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.54 1.936 . . . . 0.0 111.931 165.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.16 129.9 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.41 1.884 . . . . 0.0 110.488 172.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.36 122.32 5.01 Favored Glycine 0 N--CA 1.476 1.343 0 C-N-CA 123.695 0.664 . . . . 0.0 112.929 172.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 p -176.91 -24.46 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.185 1.794 . . . . 0.0 115.17 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 19.3 mt -66.33 167.41 10.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.503 1.521 . . . . 0.0 114.088 -161.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -143.67 177.6 8.39 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.589 1.556 . . . . 0.0 112.078 -163.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -50.65 -22.07 1.87 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 167.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -113.75 -19.76 11.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.601 1.561 . . . . 0.0 114.667 -173.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.17 153.76 20.27 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.596 1.158 . . . . 0.0 112.434 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.89 -173.42 3.98 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.141 0.976 . . . . 0.0 112.797 168.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -46.0 -35.74 5.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.861 1.264 . . . . 0.0 113.274 162.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -59.75 -31.52 69.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.614 1.165 . . . . 0.0 114.115 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.69 -32.14 28.05 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.46 1.029 . . . . 0.0 113.425 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.43 -42.9 87.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.829 0.851 . . . . 0.0 111.003 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -54.06 -49.99 67.75 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.925 1.69 . . . . 0.0 111.74 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.19 90.15 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.723 -0.611 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.85 69.11 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -101.11 -20.65 15.25 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -174.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 m -57.13 -17.76 12.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 -167.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.8 p -84.63 -12.57 53.72 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 120.331 1.423 . . . . 0.0 114.751 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -86.72 -48.24 8.43 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.055 1.342 . . . . 0.0 110.134 169.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.39 150.99 20.33 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.353 0.977 . . . . 0.0 113.429 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -75.57 127.76 33.79 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.859 0.863 . . . . 0.0 111.103 173.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 mm -59.69 134.07 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -164.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tt -87.03 -44.85 11.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.515 1.526 . . . . 0.0 110.036 168.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -161.04 148.91 15.63 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.856 1.262 . . . . 0.0 110.031 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.52 139.55 35.09 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.482 0.658 . . . . 0.0 111.651 159.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 11.8 tppt? -100.96 140.0 35.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.503 1.521 . . . . 0.0 108.632 176.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.71 134.6 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 124.044 0.938 . . . . 0.0 109.913 169.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.459 HG23 ' HB2' ' A' ' 50' ' ' ARG . 6.0 tp . . . . . 0 CA--C 1.545 0.769 0 CA-C-O 122.6 1.19 . . . . 0.0 112.192 174.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 121.039 0.447 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.459 ' HB2' HG23 ' A' ' 41' ' ' ILE . 4.0 mmp_? -69.34 -25.68 64.32 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.261 1.025 . . . . 0.0 112.122 177.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 84.72 17.64 63.28 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 115.42 0.928 . . . . 0.0 115.42 163.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -140.32 168.61 19.39 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.231 -1.158 . . . . 0.0 112.294 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.36 -177.87 37.38 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.639 1.114 . . . . 0.0 114.22 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.414 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 34.9 m-85 -113.38 155.19 25.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.923 1.289 . . . . 0.0 110.901 165.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.65 144.5 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.29 1.436 . . . . 0.0 109.561 168.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.8 t -142.2 147.5 36.65 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.059 1.343 . . . . 0.0 113.188 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -130.69 154.91 47.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.56 1.944 . . . . 0.0 110.901 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 p -64.92 0.23 1.28 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -136.92 147.03 46.15 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.841 1.2 . . . . 0.0 112.427 171.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -78.02 -38.85 43.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.214 1.406 . . . . 0.0 112.4 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -58.74 -50.74 72.81 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.014 0.926 . . . . 0.0 112.088 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -32.27 72.03 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.7 tpt -61.6 -41.55 97.59 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.727 0.694 . . . . 0.0 110.961 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -78.22 -33.52 49.83 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.883 0.873 . . . . 0.0 112.809 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.86 -33.63 70.67 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.894 0.878 . . . . 0.0 111.964 170.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.37 -49.65 21.81 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.778 0.831 . . . . 0.0 112.366 173.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 71.4 mt -50.2 -41.16 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 125.204 1.402 . . . . 0.0 111.833 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -57.64 -43.06 84.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.652 0.781 . . . . 0.0 112.747 177.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.43 -37.95 39.8 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 121.777 -0.577 . . . . 0.0 113.948 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.1 mmt -62.98 -32.61 74.0 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.215 1.406 . . . . 0.0 113.782 -175.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -46.62 99.82 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.555 1.542 . . . . 0.0 112.736 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.67 20.41 79.62 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-O 118.177 -1.346 . . . . 0.0 115.942 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -81.38 156.82 25.25 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.856 1.828 . . . . 0.0 113.12 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.38 120.13 21.96 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.424 -0.798 . . . . 0.0 110.586 161.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.13 129.12 33.38 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.723 2.009 . . . . 0.0 109.256 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.3 t70 52.88 23.42 2.81 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.378 -0.826 . . . . 0.0 112.584 -163.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.91 -13.67 23.75 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 126.413 1.959 . . . . 0.0 115.685 -169.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -88.14 148.35 24.47 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.025 2.13 . . . . 0.0 110.869 -174.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.7 m -80.93 109.72 15.78 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.694 -0.629 . . . . 0.0 110.652 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.9 tt -90.0 152.9 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.048 0.939 . . . . 0.0 112.658 -173.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.0 t -131.43 139.98 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.838 1.655 . . . . 0.0 108.345 171.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.54 142.55 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.525 1.53 . . . . 0.0 112.496 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -149.95 152.98 35.84 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.365 0.603 . . . . 0.0 112.352 162.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.88 147.95 41.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.825 1.25 . . . . 0.0 113.359 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -172.482 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 121.834 0.826 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.61 155.09 42.21 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 170.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.2 p -132.23 151.18 51.94 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.865 1.266 . . . . 0.0 112.099 176.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -77.49 143.54 38.4 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.024 1.33 . . . . 0.0 110.016 165.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 t -141.35 140.36 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.036 1.734 . . . . 0.0 109.328 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.61 127.18 1.92 Allowed Glycine 0 N--CA 1.472 1.083 0 O-C-N 120.645 -1.284 . . . . 0.0 114.661 168.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -166.44 3.48 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.997 2.119 . . . . 0.0 113.27 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 6.5 mt -96.95 166.47 11.59 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 123.437 1.589 . . . . 0.0 112.899 -154.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -148.54 179.37 7.86 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.833 1.653 . . . . 0.0 110.359 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -46.02 -27.07 0.84 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 163.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.85 -40.52 22.34 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 120.038 1.29 . . . . 0.0 113.319 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.94 151.1 21.87 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.106 0.963 . . . . 0.0 112.776 -174.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -150.04 -169.8 3.47 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.2 -0.938 . . . . 0.0 113.055 169.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -52.38 -34.11 46.36 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.626 1.103 . . . . 0.0 113.319 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -61.56 -30.32 70.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.829 0.852 . . . . 0.0 112.367 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.32 -37.45 36.49 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 125.051 1.31 . . . . 0.0 113.575 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.452 HD21 HD21 ' A' ' 16' ' ' LEU . 2.7 mm? -71.02 -45.39 63.99 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.474 1.137 . . . . 0.0 111.231 171.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.94 -35.69 64.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.923 1.289 . . . . 0.0 111.304 176.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.12 -36.95 39.8 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.35 -26.08 59.92 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -95.67 -23.28 17.08 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.57 1.148 . . . . 0.0 113.595 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 p -65.06 -16.16 63.15 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 p -68.48 -16.77 64.01 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.808 -1.183 . . . . 0.0 114.069 169.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -96.6 -26.71 15.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.754 1.221 . . . . 0.0 114.101 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.05 -167.35 39.44 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 114.916 0.726 . . . . 0.0 114.916 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -94.98 118.78 32.39 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.281 1.433 . . . . 0.0 111.06 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.2 mm -70.74 144.39 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.712 1.205 . . . . 0.0 112.598 -171.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -99.76 -49.4 4.38 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.409 1.484 . . . . 0.0 111.179 168.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -155.02 152.37 29.56 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.574 1.15 . . . . 0.0 111.567 -175.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.58 119.56 9.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.39 1.476 . . . . 0.0 108.655 166.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.91 142.1 31.84 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.291 1.436 . . . . 0.0 109.517 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.52 139.41 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 125.303 1.441 . . . . 0.0 109.578 166.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.514 HG23 ' HB2' ' A' ' 50' ' ' ARG . 19.9 tt . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.514 ' HB2' HG23 ' A' ' 41' ' ' ILE . 18.2 mtp180 -70.37 -33.8 71.86 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.227 0.921 . . . . 0.0 111.244 -177.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.459 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 91.7 14.94 56.01 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.783 1.182 . . . . 0.0 114.602 172.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -128.43 167.95 16.3 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.671 1.988 . . . . 0.0 111.388 -174.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.46 165.66 37.45 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.16 1.362 . . . . 0.0 113.144 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -113.91 133.43 55.46 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.073 0.949 . . . . 0.0 109.134 167.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.4 t -127.23 140.1 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.348 1.059 . . . . 0.0 110.555 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.6 t -140.03 149.07 42.73 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.318 1.447 . . . . 0.0 112.479 -172.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.43 150.91 30.16 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.083 1.753 . . . . 0.0 110.766 -161.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.1 m -80.89 -7.83 59.58 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -162.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -142.43 154.4 44.55 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.178 1.354 . . . . 0.0 113.57 -174.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -73.0 -42.95 62.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.981 0.912 . . . . 0.0 113.318 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -63.44 -34.69 78.3 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.273 -0.892 . . . . 0.0 111.376 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.92 -47.87 78.83 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.665 0.786 . . . . 0.0 111.903 172.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.4 -45.94 84.0 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.606 0.762 . . . . 0.0 111.604 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -80.61 -35.56 33.91 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -169.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -72.86 -31.55 64.82 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.87 0.759 . . . . 0.0 111.327 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.04 -57.72 7.12 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.292 0.497 . . . . 0.0 110.865 171.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.4 mm -52.86 -40.15 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.205 1.002 . . . . 0.0 112.225 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -63.37 -23.89 67.61 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 173.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.39 -12.12 34.18 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.038 1.304 . . . . 0.0 115.966 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.9 mmt -95.31 -35.79 11.65 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.428 1.614 . . . . 0.0 114.956 -168.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -64.88 109.79 2.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.665 1.12 . . . . 0.0 110.97 -172.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.46 19.62 71.0 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 118.303 -1.276 . . . . 0.0 115.405 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -65.7 -172.85 0.13 Allowed 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.802 1.801 . . . . 0.0 111.436 169.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -114.02 140.88 48.08 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.117 -0.989 . . . . 0.0 109.871 154.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.66 135.4 26.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.716 0.807 . . . . 0.0 110.795 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.8 t70 48.36 26.46 1.12 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.617 1.167 . . . . 0.0 113.854 -169.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.34 13.99 79.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 126.091 1.805 . . . . 0.0 115.762 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -124.17 164.11 20.16 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.171 2.189 . . . . 0.0 110.886 -170.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.5 p -82.86 121.48 26.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.357 0.663 . . . . 0.0 111.735 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.9 tt -104.55 147.97 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.209 1.004 . . . . 0.0 113.157 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.9 t -126.25 144.95 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.814 2.046 . . . . 0.0 109.344 170.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.0 m -136.56 146.93 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.148 1.379 . . . . 0.0 112.184 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -155.83 162.07 40.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.492 0.717 . . . . 0.0 112.153 152.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -59.73 152.19 23.34 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.106 -0.996 . . . . 0.0 113.2 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.01 0 C-N-CA 126.135 1.774 . . . . 0.0 112.241 -179.424 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 . . . . . 0 CA--C 1.553 1.093 0 CA-C-O 121.461 0.648 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -144.9 145.25 31.49 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.313 2.245 . . . . 0.0 111.87 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.26 159.56 41.86 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.514 1.126 . . . . 0.0 113.579 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -79.33 150.73 31.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.202 1.801 . . . . 0.0 111.862 170.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.6 m -138.08 115.78 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.645 1.578 . . . . 0.0 110.844 170.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.94 123.2 7.37 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.211 0.91 . . . . 0.0 111.694 172.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 176.22 -27.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.544 1.537 . . . . 0.0 114.6 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.69 165.99 18.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 122.334 1.064 . . . . 0.0 113.455 -156.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.9 p -151.48 177.57 10.17 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.922 1.289 . . . . 0.0 111.005 -167.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -50.04 -20.57 0.99 Allowed 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 162.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -102.97 -36.07 8.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.132 1.773 . . . . 0.0 114.22 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.58 147.15 24.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.181 0.992 . . . . 0.0 111.517 -174.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.79 -174.55 4.65 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.0 -35.05 77.38 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.507 -0.746 . . . . 0.0 112.923 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -61.79 -46.6 88.83 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.362 1.065 . . . . 0.0 112.881 -176.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.89 -40.93 84.28 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 118.303 0.501 . . . . 0.0 113.065 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.27 -42.33 75.68 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.48 0.712 . . . . 0.0 112.218 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -57.19 -41.75 79.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.549 1.14 . . . . 0.0 111.693 173.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.41 78.49 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.27 72.47 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -72.49 -33.31 66.86 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.079 -1.013 . . . . 0.0 111.401 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -57.89 -20.9 40.36 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 174.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -66.77 -25.37 66.45 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 173.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -87.99 -36.08 17.25 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.214 0.915 . . . . 0.0 113.232 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.67 -161.19 29.04 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 123.797 0.713 . . . . 0.0 113.292 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.18 129.07 35.47 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -171.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.4 tp -107.93 149.5 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.573 . . . . 0.0 112.892 -165.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -117.16 -60.71 1.8 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.183 0.993 . . . . 0.0 113.369 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.75 161.49 38.48 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.072 -1.642 . . . . 0.0 113.109 -177.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -137.49 148.15 45.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 122.88 0.472 . . . . 0.0 111.903 162.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -106.27 136.5 45.88 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.739 2.016 . . . . 0.0 110.555 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.24 138.57 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.152 1.381 . . . . 0.0 109.547 166.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 122.15 0.976 . . . . 0.0 113.386 166.065 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 121.393 0.616 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -68.04 -32.04 72.11 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.826 1.25 . . . . 0.0 113.302 -170.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.92 32.61 60.74 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 167.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -138.62 169.82 17.11 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.929 1.291 . . . . 0.0 110.611 168.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.82 167.84 28.75 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.241 0.925 . . . . 0.0 112.63 173.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -113.69 137.73 51.21 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.197 0.999 . . . . 0.0 109.833 166.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -129.34 143.7 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.467 1.507 . . . . 0.0 111.569 -175.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m -132.79 142.05 48.8 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.531 1.532 . . . . 0.0 111.611 -164.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -143.65 152.84 41.86 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.279 1.432 . . . . 0.0 110.65 -168.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.1 m -96.0 -17.8 20.72 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -169.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.46 152.7 40.01 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 122.574 1.178 . . . . 0.0 113.418 -170.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -82.4 -39.17 23.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.368 1.467 . . . . 0.0 113.981 -166.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -66.63 -38.34 86.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.546 0.612 . . . . 0.0 111.017 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.09 74.4 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.607 0.763 . . . . 0.0 112.262 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.3 ttt -62.42 -30.43 71.22 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -85.17 -52.79 5.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.501 1.046 . . . . 0.0 112.71 171.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -54.96 -39.78 69.29 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.816 0.846 . . . . 0.0 112.409 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.04 -56.94 5.09 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 123.56 0.744 . . . . 0.0 111.941 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.6 mm -57.58 -37.44 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.339 1.427 . . . . 0.0 112.227 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -70.05 -38.42 75.82 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.39 -32.64 24.78 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.787 1.184 . . . . 0.0 115.249 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -39.61 94.85 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.026 2.13 . . . . 0.0 111.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -47.56 106.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.241 1.016 . . . . 0.0 113.221 -173.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.82 18.79 74.47 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 118.5 -1.166 . . . . 0.0 115.408 173.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -74.17 140.52 45.21 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.049 1.924 . . . . 0.0 112.496 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -84.72 114.68 22.22 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.034 1.334 . . . . 0.0 110.017 173.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 tp -149.1 133.11 17.17 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.454 1.102 . . . . 0.0 110.697 -166.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 51.33 20.3 0.93 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -169.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.86 15.58 81.03 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.003 -1.685 . . . . 0.0 114.477 -170.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -112.05 178.96 4.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.898 2.879 . . . . 0.0 109.136 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.8 m -119.08 112.11 19.13 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.134 0.574 . . . . 0.0 110.017 166.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.3 pt -76.19 126.8 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 122.243 1.02 . . . . 0.0 111.663 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.6 t -122.33 130.31 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 125.635 1.574 . . . . 0.0 108.651 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.4 m -121.72 140.85 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.373 1.069 . . . . 0.0 113.695 -168.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -156.23 166.71 32.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.387 1.475 . . . . 0.0 111.677 157.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -59.75 154.19 18.75 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.869 1.668 . . . . 0.0 114.277 176.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.945 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 178.576 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 CA--C 1.545 0.755 0 CA-C-O 120.866 0.365 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -139.98 136.71 34.05 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.737 1.615 . . . . 0.0 111.222 -173.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 p -147.68 156.94 43.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.752 0.821 . . . . 0.0 112.92 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -75.64 146.83 39.99 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.808 1.643 . . . . 0.0 111.907 171.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.63 109.55 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.902 1.681 . . . . 0.0 110.408 172.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.03 121.66 6.99 Favored Glycine 0 N--CA 1.471 1.031 0 CA-C-O 119.247 -0.752 . . . . 0.0 112.432 174.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.9 p -178.8 -20.59 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.23 1.812 . . . . 0.0 113.95 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 mt -64.76 166.8 8.33 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 122.509 1.147 . . . . 0.0 112.613 -165.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -132.47 167.34 20.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.959 2.104 . . . . 0.0 109.308 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -50.65 -5.42 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -128.01 -6.95 5.48 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.563 1.545 . . . . 0.0 114.876 169.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.78 145.05 29.75 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.541 1.518 . . . . 0.0 109.187 172.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.21 -168.75 3.19 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 173.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -58.07 -20.04 36.49 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -61.07 -47.61 85.55 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.501 1.12 . . . . 0.0 111.61 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.8 -44.1 48.7 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 123.528 0.585 . . . . 0.0 112.553 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.7 mt -54.28 -48.38 71.3 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.462 0.705 . . . . 0.0 112.226 172.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -53.1 -43.0 66.5 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.988 0.915 . . . . 0.0 112.302 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.03 -35.37 56.99 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.5 -39.16 74.31 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.332 0.515 . . . . 0.0 111.802 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -79.98 -26.3 40.01 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.6 m -55.59 -25.06 36.37 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 171.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 m -66.93 -26.66 66.96 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -90.72 -23.65 20.64 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.6 -148.35 9.35 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.391 0.996 . . . . 0.0 113.159 174.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.29 107.7 19.31 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.699 -0.883 . . . . 0.0 112.151 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 tp -68.53 143.85 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.147 1.379 . . . . 0.0 111.869 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.2 tp -116.82 -41.25 3.06 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.469 1.108 . . . . 0.0 113.697 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -157.6 158.61 35.88 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.925 -1.109 . . . . 0.0 111.956 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.18 151.86 36.27 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 144.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -113.97 138.26 50.59 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.99 2.516 . . . . 0.0 111.653 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.83 133.43 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.934 1.294 . . . . 0.0 110.254 165.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.329 11.4 tp . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 123.537 1.637 . . . . 0.0 114.673 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -69.07 -34.89 75.87 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 165.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.14 77.48 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.259 0.933 . . . . 0.0 113.092 174.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -132.1 174.94 9.68 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.048 1.739 . . . . 0.0 109.059 169.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.17 -177.27 28.28 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 124.087 0.851 . . . . 0.0 112.098 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -110.1 148.11 32.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.811 0.844 . . . . 0.0 108.788 167.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.08 137.89 48.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 124.225 1.01 . . . . 0.0 109.86 171.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 m -129.22 144.2 51.13 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.047 0.939 . . . . 0.0 112.596 -172.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -113.43 161.25 17.54 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.838 1.655 . . . . 0.0 111.88 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.1 p -115.8 8.45 14.84 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 169.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -130.48 141.22 50.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.52 1.128 . . . . 0.0 111.024 166.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.86 -53.87 47.55 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.527 1.531 . . . . 0.0 114.035 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.59 -32.37 71.08 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.238 -0.914 . . . . 0.0 112.262 -176.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -35.15 73.88 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.347 0.659 . . . . 0.0 112.645 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.1 ttt -60.69 -45.18 95.16 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.162 0.585 . . . . 0.0 111.56 173.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -81.02 -33.06 33.87 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.718 -0.613 . . . . 0.0 112.625 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -67.63 -33.6 75.3 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.311 -0.868 . . . . 0.0 111.278 173.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.24 -60.41 2.48 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.98 0.512 . . . . 0.0 111.291 168.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.68 -34.59 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -172.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -74.11 -25.76 59.97 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.749 1.613 . . . . 0.0 113.443 173.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.57 -22.54 36.59 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.875 1.226 . . . . 0.0 115.486 174.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.7 mmt -77.53 -37.03 51.78 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.92 1.688 . . . . 0.0 113.355 -174.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -68.82 107.17 2.95 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.798 0.808 . . . . 0.0 112.521 -162.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.11 7.68 73.23 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.504 1.526 . . . . 0.0 115.377 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -68.3 154.9 40.84 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.979 1.889 . . . . 0.0 111.314 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.12 129.59 38.41 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.794 -0.566 . . . . 0.0 111.625 156.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.18 127.7 23.04 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.877 2.071 . . . . 0.0 107.529 170.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.1 t70 54.76 22.19 4.01 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -165.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.73 -3.36 64.4 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.943 2.211 . . . . 0.0 115.555 -172.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -98.34 146.11 26.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.327 2.251 . . . . 0.0 110.674 -177.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 t -76.16 117.56 17.99 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.039 0.536 . . . . 0.0 110.025 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.5 tt -97.41 145.91 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.096 0.958 . . . . 0.0 112.981 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.6 t -127.95 136.74 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.76 1.224 . . . . 0.0 108.871 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.7 m -122.72 130.12 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.246 1.018 . . . . 0.0 112.069 -172.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -151.71 148.8 28.35 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.87 0.868 . . . . 0.0 112.531 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.37 142.8 51.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.676 1.591 . . . . 0.0 113.715 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 176.117 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.5 p90 . . . . . 0 CA--C 1.54 0.594 0 CA-C-O 123.03 1.395 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 ttm105 -143.81 144.41 31.77 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 128.303 2.641 . . . . 0.0 107.666 174.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -139.16 149.35 44.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -176.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -77.9 144.4 36.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.918 1.687 . . . . 0.0 110.541 171.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.03 113.76 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.68 1.592 . . . . 0.0 110.472 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.3 128.21 9.39 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.395 0.997 . . . . 0.0 110.933 169.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 m -174.76 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.8 1.64 . . . . 0.0 113.066 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 mt -71.02 165.05 24.31 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 122.863 1.316 . . . . 0.0 113.368 -152.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.0 p -154.19 179.51 8.89 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 125.418 1.487 . . . . 0.0 109.605 -168.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -46.33 -36.08 5.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 167.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -92.51 -23.18 19.19 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.29 150.64 21.84 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.223 1.009 . . . . 0.0 112.722 -175.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -149.91 -177.92 6.18 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -60.67 -35.32 75.96 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.357 -0.839 . . . . 0.0 112.751 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -24.99 63.72 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.468 -0.77 . . . . 0.0 112.508 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.78 -41.71 41.29 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.044 0.831 . . . . 0.0 113.187 174.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.9 mt -59.51 -47.37 85.78 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.745 0.818 . . . . 0.0 111.513 168.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.09 -48.47 81.6 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.798 -0.564 . . . . 0.0 112.192 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.51 -23.74 62.71 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.68 80.11 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.382 -0.824 . . . . 0.0 111.914 169.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.6 -3.72 23.46 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -169.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.5 p -57.84 -16.67 12.42 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.925 2.195 . . . . 0.0 116.925 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -88.86 -13.54 39.0 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.589 -1.32 . . . . 0.0 114.402 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -75.12 -31.08 61.02 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.546 -1.346 . . . . 0.0 111.089 168.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.64 169.98 38.65 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.966 1.269 . . . . 0.0 113.023 168.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.07 145.64 56.04 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.252 1.021 . . . . 0.0 111.725 172.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.7 tp -99.91 145.64 10.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 125.252 1.421 . . . . 0.0 112.192 -169.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 tp -106.42 -42.92 4.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.246 1.418 . . . . 0.0 112.677 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.19 163.22 13.18 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.941 1.696 . . . . 0.0 111.644 172.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.46 148.59 39.75 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.695 -0.628 . . . . 0.0 110.955 161.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.539 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 44.1 tptt -104.83 138.18 41.48 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.497 2.319 . . . . 0.0 109.712 176.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.35 139.33 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.045 1.338 . . . . 0.0 109.277 165.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 50' ' ' ARG 0.252 10.8 tp . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 123.242 1.496 . . . . 0.0 114.932 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.481 ' HB2' HG23 ' A' ' 41' ' ' ILE . 25.2 mmm180 -79.79 -39.63 30.44 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.294 -0.879 . . . . 0.0 109.747 164.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.09 19.12 47.89 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.534 1.064 . . . . 0.0 114.494 170.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -146.02 175.16 10.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.751 1.22 . . . . 0.0 111.064 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.82 -161.91 25.4 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.153 0.882 . . . . 0.0 112.348 168.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.539 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 60.7 m-85 -112.97 156.33 23.21 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.424 1.49 . . . . 0.0 111.261 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.0 p -141.91 144.08 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.809 1.243 . . . . 0.0 110.981 173.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -133.77 122.98 24.08 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.516 1.526 . . . . 0.0 110.62 -167.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -91.57 164.01 13.93 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.705 0.802 . . . . 0.0 110.786 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.9 p -93.15 -6.23 48.36 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -137.45 154.54 49.9 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.453 1.501 . . . . 0.0 112.99 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -77.93 -50.71 11.65 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.633 1.173 . . . . 0.0 113.683 -167.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.35 -36.2 77.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.59 0.756 . . . . 0.0 111.709 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.26 97.37 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.905 1.282 . . . . 0.0 112.206 175.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.29 -41.49 96.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.075 0.55 . . . . 0.0 112.245 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -75.98 -31.38 58.95 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.312 -0.868 . . . . 0.0 113.112 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -73.73 -29.66 62.37 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.9 0.773 . . . . 0.0 111.48 170.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.65 71.78 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.534 171.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.6 mm -59.36 -48.4 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.402 1.456 . . . . 0.0 111.352 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.56 -30.54 63.25 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.858 0.863 . . . . 0.0 112.834 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.66 -26.49 27.14 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.049 1.309 . . . . 0.0 115.55 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -45.92 61.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.98 1.89 . . . . 0.0 113.434 -168.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -58.38 109.91 0.87 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -159.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.63 75.32 Favored Glycine 0 CA--C 1.536 1.397 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -63.58 157.47 23.69 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 120.388 2.094 . . . . 0.0 111.756 169.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.43 105.27 15.33 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.708 1.203 . . . . 0.0 112.064 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -119.4 134.06 55.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.964 1.706 . . . . 0.0 109.393 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 54.02 20.6 2.52 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.798 1.181 . . . . 0.0 113.02 -164.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.49 3.99 50.13 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 119.694 -1.879 . . . . 0.0 115.052 -167.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -92.74 138.64 31.31 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.581 1.952 . . . . 0.0 109.741 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.7 m -81.59 127.29 32.71 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.716 -0.615 . . . . 0.0 111.415 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.3 tt -89.83 146.08 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -174.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.41 136.94 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.826 2.051 . . . . 0.0 108.932 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.4 m -132.14 148.03 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -171.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -161.71 158.86 26.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.103 1.361 . . . . 0.0 110.9 150.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.26 152.35 25.11 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 121.109 -0.994 . . . . 0.0 112.548 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -161.285 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.991 0.424 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -138.81 133.65 32.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.942 1.297 . . . . 0.0 112.627 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 p -148.54 155.71 41.48 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.755 1.222 . . . . 0.0 113.833 -170.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -82.9 144.89 29.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.771 2.428 . . . . 0.0 112.419 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.3 t -137.86 110.2 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.065 1.746 . . . . 0.0 109.3 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.82 119.33 5.57 Favored Glycine 0 N--CA 1.473 1.122 0 CA-C-O 118.833 -0.982 . . . . 0.0 112.023 170.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.87 -4.52 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.737 1.615 . . . . 0.0 114.357 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 mt -78.6 166.9 22.01 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.568 -1.332 . . . . 0.0 111.486 -168.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -133.67 172.77 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 126.65 1.98 . . . . 0.0 108.87 175.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -56.78 -21.35 27.97 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -167.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -109.42 -12.95 14.67 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.037 1.735 . . . . 0.0 113.096 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.18 145.63 44.05 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 120.6 1.546 . . . . 0.0 110.565 169.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -146.85 -173.92 4.35 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.0 -31.46 65.11 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -59.0 -34.38 71.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.132 0.878 . . . . 0.0 112.143 173.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.05 -48.81 14.52 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.124 1.345 . . . . 0.0 113.176 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.81 -35.54 80.29 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.264 1.032 . . . . 0.0 112.309 172.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.67 -39.05 83.22 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.02 -1.05 . . . . 0.0 111.47 172.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.67 48.36 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -41.32 75.89 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.564 -0.71 . . . . 0.0 111.107 168.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -103.73 -14.45 16.09 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 -168.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 m -60.48 -20.55 60.42 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.684 1.583 . . . . 0.0 113.819 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 p -72.02 -17.89 62.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -84.46 -34.2 23.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.696 1.199 . . . . 0.0 111.895 174.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.87 -177.1 48.37 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.389 0.995 . . . . 0.0 112.866 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -81.17 119.39 23.53 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.268 1.027 . . . . 0.0 111.129 -174.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.9 mm -77.63 136.3 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.396 1.078 . . . . 0.0 111.54 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 mp -97.12 -45.67 6.46 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.547 1.539 . . . . 0.0 111.155 169.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -146.1 149.45 34.07 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.229 1.012 . . . . 0.0 111.15 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.79 127.45 13.35 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.213 1.005 . . . . 0.0 108.581 168.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.53 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 15.7 tppt? -107.46 139.62 41.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.652 1.581 . . . . 0.0 111.254 -174.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.517 HD13 ' N ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -112.53 143.04 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.234 1.414 . . . . 0.0 109.049 163.39 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.517 ' N ' HD13 ' A' ' 40' ' ' ILE . 9.5 tp . . . . . 0 CA--C 1.546 0.827 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 167.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 121.144 0.497 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HB2' HG23 ' A' ' 41' ' ' ILE . 4.3 mmp_? -97.36 -33.05 11.57 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.554 -0.716 . . . . 0.0 110.095 152.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.27 22.0 59.64 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.795 0.712 . . . . 0.0 114.323 166.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -143.14 172.82 12.21 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.494 1.518 . . . . 0.0 111.111 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.55 -175.85 34.01 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 125.286 1.422 . . . . 0.0 113.139 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.53 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 74.9 m-85 -112.25 157.13 21.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.991 1.316 . . . . 0.0 109.974 166.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -140.29 143.34 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 125.324 1.45 . . . . 0.0 109.879 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 p -140.46 151.6 44.99 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -123.79 161.97 24.16 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.163 1.385 . . . . 0.0 113.008 -170.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.9 t -78.44 -20.88 50.09 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.068 1.747 . . . . 0.0 113.181 174.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -134.81 150.94 50.57 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.523 1.529 . . . . 0.0 112.994 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -34.59 78.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.558 1.543 . . . . 0.0 113.177 169.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -53.38 -44.53 68.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.515 1.526 . . . . 0.0 112.586 176.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.25 -45.99 36.55 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.003 0.921 . . . . 0.0 111.473 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -59.08 -47.36 85.53 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.466 0.706 . . . . 0.0 112.198 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -78.13 -33.99 50.14 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.983 -0.532 . . . . 0.0 112.283 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.82 -29.28 64.26 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.289 1.404 . . . . 0.0 111.869 173.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.37 -54.73 15.33 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.666 -0.646 . . . . 0.0 110.737 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.92 -41.55 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.541 1.536 . . . . 0.0 112.624 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -56.24 -31.97 64.05 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.316 1.046 . . . . 0.0 112.407 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.45 -44.59 6.47 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.102 1.334 . . . . 0.0 113.891 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.429 ' CB ' HG11 ' A' ' 82' ' ' VAL . 27.0 mtt -56.07 -37.54 69.46 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.932 1.366 . . . . 0.0 112.695 -176.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -62.92 92.42 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.459 1.504 . . . . 0.0 111.276 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.31 18.09 22.62 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -84.44 165.19 18.36 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.956 1.878 . . . . 0.0 113.626 172.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -96.44 133.47 40.82 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 153.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.7 tp -146.76 131.64 18.08 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.472 1.109 . . . . 0.0 110.622 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 t0 45.68 35.18 2.03 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.928 1.291 . . . . 0.0 113.563 -162.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.71 11.4 83.22 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.045 0.831 . . . . 0.0 114.877 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -118.84 155.05 31.89 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.626 1.97 . . . . 0.0 110.366 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -79.58 106.9 11.95 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.68 -0.638 . . . . 0.0 110.624 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.0 tt -75.5 134.33 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.184 0.594 . . . . 0.0 111.368 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.8 t -133.35 140.09 47.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.106 1.762 . . . . 0.0 108.84 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.429 HG11 ' CB ' ' A' ' 70' ' ' MET . 16.0 m -138.82 148.94 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -164.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -157.86 160.55 37.81 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.009 0.924 . . . . 0.0 111.799 158.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -60.72 151.39 29.5 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.927 -1.108 . . . . 0.0 113.699 169.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 124.933 1.293 . . . . 0.0 113.103 -179.142 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 122.175 0.988 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -131.84 144.95 51.27 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.164 1.786 . . . . 0.0 111.594 -168.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 p -131.97 156.39 46.28 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.125 0.97 . . . . 0.0 112.201 171.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -89.28 142.27 27.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.4 1.88 . . . . 0.0 110.009 172.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.5 t -141.26 139.87 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.141 1.776 . . . . 0.0 109.299 -166.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.77 123.2 1.22 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 117.461 1.745 . . . . 0.0 117.461 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 p -150.04 -1.85 0.41 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 129.112 2.965 . . . . 0.0 112.508 166.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 mt -75.14 162.15 28.76 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.686 1.231 . . . . 0.0 112.015 -154.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -138.53 168.56 19.51 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 126.581 1.952 . . . . 0.0 108.828 -173.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -44.18 -33.6 1.58 Allowed 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -97.64 -14.94 20.66 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.996 1.318 . . . . 0.0 114.496 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.19 141.69 28.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.055 0.942 . . . . 0.0 109.797 176.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -140.9 -165.24 1.9 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.941 -0.474 . . . . 0.0 111.129 171.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.27 -38.8 13.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.527 1.131 . . . . 0.0 113.439 175.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -50.09 -38.78 40.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.696 1.199 . . . . 0.0 113.161 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.06 -46.0 38.23 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 118.883 0.765 . . . . 0.0 113.467 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.73 -29.36 64.45 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.042 0.921 . . . . 0.0 113.033 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.1 -52.09 66.38 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.422 1.489 . . . . 0.0 110.793 170.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.42 89.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.263 0.483 . . . . 0.0 111.893 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.21 -37.51 78.12 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -81.93 -19.47 40.7 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.3 t -57.7 -21.84 42.84 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -171.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 p -81.14 -18.75 45.32 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.857 1.263 . . . . 0.0 114.185 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -92.92 -27.2 17.22 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.424 1.889 . . . . 0.0 112.688 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.62 -176.03 45.32 Favored Glycine 0 CA--C 1.531 1.087 0 CA-C-N 120.095 1.316 . . . . 0.0 116.023 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -109.08 117.4 34.06 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.879 1.672 . . . . 0.0 110.836 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 mm -67.29 134.5 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.63 1.572 . . . . 0.0 113.59 -159.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.5 mt -100.58 -27.46 13.39 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 118.026 -0.988 . . . . 0.0 113.51 166.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -148.33 144.92 27.88 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.16 1.384 . . . . 0.0 110.979 176.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.73 108.41 4.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.991 1.316 . . . . 0.0 109.298 168.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 44.6 tptt -102.59 143.52 32.18 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.516 1.526 . . . . 0.0 109.998 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -117.8 140.38 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 125.62 1.568 . . . . 0.0 106.922 160.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.547 HG23 ' HB2' ' A' ' 50' ' ' ARG . 9.8 tp . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 122.58 1.181 . . . . 0.0 111.854 167.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 110.638 -0.134 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.547 ' HB2' HG23 ' A' ' 41' ' ' ILE . 5.0 mtp180 -66.82 -25.64 66.54 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 121.172 -0.955 . . . . 0.0 110.775 173.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.78 19.99 78.47 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.135 1.35 . . . . 0.0 114.842 163.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -134.83 168.52 18.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.328 1.851 . . . . 0.0 110.34 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.89 177.05 41.18 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 125.419 1.485 . . . . 0.0 113.235 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 83.7 m-85 -111.07 147.84 33.93 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.685 1.194 . . . . 0.0 109.946 167.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.07 149.59 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.426 1.09 . . . . 0.0 110.181 167.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -147.57 154.07 40.23 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -122.34 177.55 5.33 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.915 1.686 . . . . 0.0 110.591 172.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 m -72.05 -15.93 62.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.522 1.129 . . . . 0.0 113.822 172.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -150.51 160.97 43.41 Favored 'General case' 0 CA--C 1.552 1.058 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -75.27 -35.21 61.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.096 1.359 . . . . 0.0 114.158 -172.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -62.31 -45.37 93.55 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.963 0.905 . . . . 0.0 112.006 -169.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.68 78.6 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.914 0.886 . . . . 0.0 112.662 173.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 90.9 mmm -58.62 -42.16 87.59 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.234 0.925 . . . . 0.0 112.141 173.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -76.67 -34.45 58.24 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -64.47 -33.9 76.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.954 0.902 . . . . 0.0 111.176 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.91 61.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.3 0.64 . . . . 0.0 111.585 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.4 -36.45 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.627 1.103 . . . . 0.0 112.08 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.5 -27.45 67.79 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 171.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.88 -8.64 50.97 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.692 1.615 . . . . 0.0 115.733 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.6 mmt -96.1 -41.45 8.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.679 1.991 . . . . 0.0 113.43 -175.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -62.56 108.87 1.22 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -161.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.97 5.92 70.17 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.3 1.429 . . . . 0.0 115.892 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -68.03 163.18 22.9 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.73 1.765 . . . . 0.0 113.95 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -103.9 109.4 21.14 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.135 1.374 . . . . 0.0 108.885 171.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 tp -142.41 131.8 23.63 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.127 1.371 . . . . 0.0 110.611 -165.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 t0 53.41 25.02 4.3 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -159.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.08 -3.63 75.55 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 126.121 1.82 . . . . 0.0 115.59 -170.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -114.53 154.71 27.77 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.842 1.657 . . . . 0.0 112.065 -168.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.8 p -73.9 128.8 36.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.879 0.872 . . . . 0.0 112.273 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.4 tt -112.29 139.82 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 -174.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 t -119.57 146.61 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 127.96 2.504 . . . . 0.0 110.457 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.9 m -137.81 141.43 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.891 1.676 . . . . 0.0 112.458 -178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -158.47 155.64 28.87 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.058 0.943 . . . . 0.0 113.308 163.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -60.88 142.68 56.06 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.399 1.48 . . . . 0.0 114.96 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.299 0 C-N-CA 125.941 1.696 . . . . 0.0 114.295 -177.159 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 mmt . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.79 101.54 14.14 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.064 1.346 . . . . 0.0 110.804 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -79.25 94.11 5.38 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.338 1.055 . . . . 0.0 109.444 165.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.2 p -110.59 179.08 4.17 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.631 1.572 . . . . 0.0 112.384 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -69.33 -18.65 63.83 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.094 -1.629 . . . . 0.0 112.318 170.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.73 -17.88 57.47 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.997 1.284 . . . . 0.0 114.126 171.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -138.99 55.49 1.71 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.621 1.568 . . . . 0.0 112.644 -170.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -126.84 167.55 15.66 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.117 1.767 . . . . 0.0 111.977 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -107.91 78.49 1.19 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 109.449 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -126.62 125.76 42.47 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.681 1.992 . . . . 0.0 109.942 -173.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -140.99 155.7 46.17 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.64 0.776 . . . . 0.0 112.665 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -84.83 145.96 27.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.649 1.98 . . . . 0.0 111.827 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.99 110.08 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.324 1.449 . . . . 0.0 108.69 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.21 134.82 11.93 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.335 0.969 . . . . 0.0 112.187 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.4 -31.57 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 126.954 2.102 . . . . 0.0 112.925 172.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.42 163.64 5.05 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.249 1.819 . . . . 0.0 113.802 -161.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.1 p -145.14 175.62 10.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.106 1.762 . . . . 0.0 111.183 -169.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.1 p90 -51.69 -14.79 0.38 Allowed 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 164.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -100.32 -30.61 11.77 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.128 1.371 . . . . 0.0 113.465 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.61 146.59 23.66 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 120.382 1.447 . . . . 0.0 113.926 -176.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -137.29 -178.3 5.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.221 1.009 . . . . 0.0 112.753 174.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.04 -33.08 64.62 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.874 0.87 . . . . 0.0 112.812 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.25 -38.86 81.1 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.06 0.944 . . . . 0.0 111.859 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.62 -35.93 62.41 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.643 1.116 . . . . 0.0 113.888 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pp -79.59 -35.18 40.04 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.693 1.246 . . . . 0.0 111.989 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -55.25 -45.5 76.05 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.268 -0.895 . . . . 0.0 110.678 170.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.68 -18.73 65.03 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.48 -24.29 24.17 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.307 1.043 . . . . 0.0 113.689 172.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -102.53 -21.22 14.23 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.675 1.59 . . . . 0.0 114.217 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 t -59.95 -23.61 63.7 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.961 1.304 . . . . 0.0 113.349 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 p -69.79 -12.59 61.75 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.656 1.982 . . . . 0.0 115.031 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -95.69 -38.85 10.18 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.156 0.982 . . . . 0.0 112.665 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.49 179.19 46.84 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 115.285 0.874 . . . . 0.0 115.285 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.21 115.68 11.73 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.688 1.595 . . . . 0.0 111.651 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.1 mm -78.08 139.84 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.784 1.234 . . . . 0.0 111.942 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 mt -92.42 -45.35 8.2 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.429 1.492 . . . . 0.0 111.686 168.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.55 159.36 44.15 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.901 0.858 . . . . 0.0 111.645 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.87 148.64 47.19 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.031 149.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -119.38 137.79 53.51 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.696 1.598 . . . . 0.0 108.934 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.74 132.67 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.025 1.33 . . . . 0.0 109.402 164.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.281 10.6 tp -125.59 140.54 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 123.028 1.395 . . . . 0.0 113.52 -173.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -149.72 166.49 29.24 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 129.277 3.031 . . . . 0.0 109.039 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -85.66 109.71 18.78 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.757 1.162 . . . . 0.0 110.47 156.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -68.73 -17.3 64.03 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.932 1.293 . . . . 0.0 114.44 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -76.69 -52.65 9.24 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.513 0.725 . . . . 0.0 109.678 170.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -82.23 -19.46 39.65 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.741 0.816 . . . . 0.0 112.701 -170.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.75 33.55 55.29 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.212 0.911 . . . . 0.0 112.514 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -120.75 116.09 24.56 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.505 1.522 . . . . 0.0 110.974 -168.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t -74.19 140.35 45.05 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.136 0.88 . . . . 0.0 112.568 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -72.15 -28.63 63.37 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.817 0.847 . . . . 0.0 110.284 161.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.37 26.4 68.14 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.033 1.301 . . . . 0.0 113.839 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -150.79 -179.25 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 125.11 1.364 . . . . 0.0 110.396 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.61 -151.85 10.83 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 124.245 0.926 . . . . 0.0 110.893 161.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -114.13 156.9 23.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 p -128.91 142.97 42.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 C-N-CA 126.841 2.056 . . . . 0.0 108.814 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.5 p -137.37 141.38 41.76 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -111.46 153.89 25.49 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.995 1.318 . . . . 0.0 112.722 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 m -75.21 -13.14 60.42 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.796 1.239 . . . . 0.0 113.748 170.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -139.19 150.68 45.85 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.442 1.897 . . . . 0.0 110.833 -172.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -82.4 -36.56 26.61 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -57.34 -42.51 82.09 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.313 1.045 . . . . 0.0 111.384 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.82 -43.84 97.71 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.105 0.962 . . . . 0.0 112.543 174.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 44.0 ttp -63.91 -44.7 92.16 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.903 -0.498 . . . . 0.0 111.663 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -77.75 -39.79 43.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 118.457 -0.782 . . . . 0.0 113.095 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -67.68 -29.37 68.63 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.037 0.835 . . . . 0.0 111.81 173.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.03 -62.43 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.439 0.563 . . . . 0.0 110.754 169.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.3 mt -52.71 -46.2 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.438 1.017 . . . . 0.0 112.806 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -65.86 -21.09 66.44 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.23 0.923 . . . . 0.0 113.388 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.21 -26.07 10.54 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.835 1.207 . . . . 0.0 115.741 173.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.6 mmt -76.64 -26.65 55.12 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.122 1.769 . . . . 0.0 114.733 -168.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -51.24 114.57 1.24 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.033 0.833 . . . . 0.0 111.664 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.89 6.97 87.89 Favored Glycine 0 CA--C 1.537 1.45 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -67.11 167.59 11.73 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.679 1.74 . . . . 0.0 112.361 173.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -118.28 117.4 29.0 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.84 0.856 . . . . 0.0 112.266 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp -116.56 134.59 54.66 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.979 2.112 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.7 t0 44.7 32.93 0.85 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.757 1.623 . . . . 0.0 115.221 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.41 20.09 65.07 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.156 1.36 . . . . 0.0 115.721 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -132.25 144.63 50.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.931 2.092 . . . . 0.0 111.279 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 t -82.43 133.48 35.21 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.48 -0.762 . . . . 0.0 112.27 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 pt -98.44 163.4 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -169.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.8 t -133.96 141.89 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.666 1.587 . . . . 0.0 108.975 165.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 m -123.33 132.65 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.377 1.471 . . . . 0.0 112.549 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -154.78 164.01 39.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.219 -0.926 . . . . 0.0 112.084 160.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.59 152.03 27.3 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.968 -1.082 . . . . 0.0 112.998 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.08 19.54 4.94 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.607 1.163 . . . . 0.0 113.387 -175.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -79.71 -49.08 12.61 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.959 1.303 . . . . 0.0 112.286 -173.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 t -74.93 -37.33 62.04 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.923 -1.11 . . . . 0.0 112.209 -175.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -68.06 -30.87 70.17 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.272 -0.892 . . . . 0.0 112.855 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -72.56 -40.87 52.94 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.306 0.955 . . . . 0.0 113.249 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -71.5 -32.54 68.34 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.929 1.292 . . . . 0.0 113.317 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.18 2.59 59.09 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.764 1.65 . . . . 0.0 115.88 174.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.367 0 C-N-CA 125.621 1.582 . . . . 0.0 113.617 -177.291 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.94 89.95 2.49 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.729 1.212 . . . . 0.0 108.924 166.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -82.79 81.09 8.67 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 122.179 0.99 . . . . 0.0 111.823 -173.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t -78.26 -176.74 4.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.628 1.971 . . . . 0.0 111.601 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.95 -15.99 47.73 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -170.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.41 -11.87 76.96 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.739 1.162 . . . . 0.0 115.829 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.71 160.11 21.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.966 1.383 . . . . 0.0 113.573 -169.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -138.24 163.94 30.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.179 1.392 . . . . 0.0 112.572 171.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -77.63 80.69 4.09 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.868 -1.145 . . . . 0.0 111.099 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 ptm85 -133.64 144.71 49.39 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 p -135.56 158.43 44.4 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.664 1.585 . . . . 0.0 113.655 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -92.23 150.17 21.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.249 2.22 . . . . 0.0 111.794 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.7 120.44 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.837 1.655 . . . . 0.0 110.478 177.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.03 122.29 7.44 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.729 -1.039 . . . . 0.0 111.316 169.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -177.64 -33.21 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.851 1.26 . . . . 0.0 114.289 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.3 mt -56.3 151.62 12.49 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -164.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.9 p -130.53 179.41 5.95 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.023 2.129 . . . . 0.0 111.092 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.2 p90 -47.66 -25.67 1.26 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 164.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -88.7 -34.11 17.31 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.392 1.477 . . . . 0.0 113.287 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.19 153.29 21.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.712 1.205 . . . . 0.0 113.736 -169.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.08 -172.05 3.5 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.643 1.177 . . . . 0.0 112.183 165.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -52.44 -35.16 51.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.617 1.167 . . . . 0.0 112.791 172.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -69.23 -40.59 77.85 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.974 1.31 . . . . 0.0 113.993 -170.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.1 -28.71 72.62 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 118.436 0.562 . . . . 0.0 112.847 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.71 -38.24 47.75 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 117.725 0.762 . . . . 0.0 111.782 170.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.25 -43.48 70.96 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.617 1.098 . . . . 0.0 111.157 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.73 82.11 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.713 0.688 . . . . 0.0 112.843 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -30.17 70.24 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -88.84 -24.58 22.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.516 1.126 . . . . 0.0 113.587 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 m -60.85 -20.39 61.69 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.535 1.062 . . . . 0.0 113.833 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -60.43 -27.76 67.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.937 0.895 . . . . 0.0 113.382 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -91.68 -24.87 19.36 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.729 1.212 . . . . 0.0 113.412 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.16 -171.08 43.34 Favored Glycine 0 CA--C 1.533 1.157 0 N-CA-C 115.315 0.886 . . . . 0.0 115.315 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.95 116.21 15.43 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.219 1.408 . . . . 0.0 111.622 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 mm -77.99 135.27 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.453 1.101 . . . . 0.0 110.916 173.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.05 -35.03 12.1 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.777 1.231 . . . . 0.0 112.079 169.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -164.54 157.55 17.21 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.263 0.938 . . . . 0.0 111.107 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.74 148.05 36.62 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.26 0.552 . . . . 0.0 110.797 158.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -103.05 133.84 47.5 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.297 -0.877 . . . . 0.0 110.236 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.31 136.75 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 125.839 1.656 . . . . 0.0 108.535 166.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 50' ' ' ARG . 8.5 tp -126.8 121.76 59.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 122.893 1.33 . . . . 0.0 112.861 168.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -158.86 154.13 25.55 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.563 2.345 . . . . 0.0 109.675 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -119.15 111.5 18.34 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.047 -1.033 . . . . 0.0 112.067 147.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.33 -33.33 74.1 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.104 1.362 . . . . 0.0 112.448 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.8 -44.26 77.75 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.605 1.162 . . . . 0.0 112.434 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.8 p -105.98 14.31 28.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.75 28.2 71.18 Favored Glycine 0 CA--C 1.533 1.212 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 166.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -119.44 87.56 2.76 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.013 1.325 . . . . 0.0 112.286 -174.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.6 m -84.44 104.6 14.59 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.157 0.583 . . . . 0.0 109.84 173.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HB2' HG23 ' A' ' 41' ' ' ILE . 15.5 mmp_? -67.76 -31.37 71.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.19 0.596 . . . . 0.0 111.713 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.35 23.72 64.87 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 115.503 0.961 . . . . 0.0 115.503 162.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -139.89 167.83 21.2 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.496 1.519 . . . . 0.0 110.577 173.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.55 176.9 32.17 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.594 1.092 . . . . 0.0 113.346 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.66 158.2 23.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.499 1.12 . . . . 0.0 111.328 167.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.17 139.36 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.647 1.579 . . . . 0.0 109.226 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 t -126.84 136.67 52.66 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.027 1.331 . . . . 0.0 112.259 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -112.94 157.25 21.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.791 2.037 . . . . 0.0 111.936 -167.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 m -82.35 -27.42 32.18 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.173 0.989 . . . . 0.0 113.17 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -137.11 152.69 50.29 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.563 1.145 . . . . 0.0 113.475 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -68.2 -41.13 81.82 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.623 1.969 . . . . 0.0 113.947 -170.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -68.32 -37.86 80.99 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.991 -1.068 . . . . 0.0 112.649 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.83 92.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.307 0.643 . . . . 0.0 112.173 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 43.8 ttp -61.8 -43.47 98.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.977 0.911 . . . . 0.0 111.98 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -75.06 -49.48 19.6 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.476 0.71 . . . . 0.0 112.448 -173.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -71.85 -23.03 61.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.09 -61.88 1.98 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.219 167.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.3 mt -50.09 -44.49 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 125.164 1.385 . . . . 0.0 112.015 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.78 -22.77 67.06 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.582 1.153 . . . . 0.0 113.608 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.44 -31.54 6.75 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.559 1.076 . . . . 0.0 114.656 169.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mmt -67.51 -28.35 67.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.975 1.71 . . . . 0.0 114.31 -172.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -56.18 104.73 0.15 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.737 0.815 . . . . 0.0 112.412 -173.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.82 8.02 77.08 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.737 1.455 . . . . 0.0 116.737 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -67.72 154.8 40.7 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.067 1.934 . . . . 0.0 112.83 174.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -85.74 120.04 26.73 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.094 0.957 . . . . 0.0 110.98 163.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -128.22 131.39 48.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.544 1.938 . . . . 0.0 109.27 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 56.3 20.56 4.71 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.418 1.487 . . . . 0.0 113.619 -169.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.54 6.07 86.45 Favored Glycine 0 CA--C 1.539 1.571 0 O-C-N 120.207 -1.558 . . . . 0.0 114.982 -170.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -108.34 150.56 27.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.912 2.085 . . . . 0.0 109.989 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.7 m -82.1 132.58 35.25 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.447 -0.783 . . . . 0.0 111.258 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.8 tt -101.94 148.76 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 121.726 0.774 . . . . 0.0 112.974 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.5 t -129.09 139.65 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.336 1.854 . . . . 0.0 108.162 173.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 m -133.49 130.78 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -168.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -154.38 158.71 40.46 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.845 1.258 . . . . 0.0 111.703 169.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.32 151.55 27.41 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.07 -1.019 . . . . 0.0 112.823 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.03 24.87 4.95 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.289 1.436 . . . . 0.0 112.783 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.43 -28.13 66.67 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.033 -1.042 . . . . 0.0 112.604 -174.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -62.43 -32.23 73.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.257 1.423 . . . . 0.0 113.398 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -80.53 -1.31 41.34 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 -171.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.12 -20.84 65.37 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 -160.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -101.0 -24.22 14.37 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.942 1.871 . . . . 0.0 114.71 -173.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.99 -51.47 28.59 Favored Glycine 0 CA--C 1.535 1.321 0 CA-C-N 119.375 0.988 . . . . 0.0 113.613 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 C-N-CA 126.273 1.892 . . . . 0.0 112.722 -177.761 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 111.35 0.13 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.76 91.02 2.55 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 153.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -108.02 104.87 14.41 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.636 1.174 . . . . 0.0 111.73 -166.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.2 m -72.71 -177.56 2.35 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 128.408 2.683 . . . . 0.0 112.814 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.99 -33.17 74.83 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -162.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.01 -16.96 79.16 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-N 119.0 0.818 . . . . 0.0 114.523 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.33 166.61 12.0 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.733 1.613 . . . . 0.0 112.256 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -140.31 152.86 46.19 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -170.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -112.76 78.71 1.15 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 122.614 1.197 . . . . 0.0 108.243 -176.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -130.48 155.76 45.92 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.534 1.533 . . . . 0.0 112.508 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -148.53 157.03 43.2 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.475 1.11 . . . . 0.0 113.441 -175.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.6 147.61 43.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.596 1.559 . . . . 0.0 111.334 166.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.11 145.46 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.349 1.86 . . . . 0.0 109.53 164.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.12 124.91 1.9 Allowed Glycine 0 CA--C 1.528 0.867 0 O-C-N 121.999 -0.438 . . . . 0.0 113.053 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.9 p -176.56 -20.88 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.996 2.118 . . . . 0.0 113.547 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.49 161.97 18.96 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.066 1.346 . . . . 0.0 112.556 -166.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -114.82 176.55 5.0 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 126.771 2.029 . . . . 0.0 110.471 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -50.86 -25.71 4.87 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.161 0.984 . . . . 0.0 113.647 166.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -100.22 -29.35 12.51 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.63 149.09 45.91 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.873 1.67 . . . . 0.0 111.542 174.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -149.03 -178.29 6.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -58.46 -33.71 70.06 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.301 -0.875 . . . . 0.0 113.204 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -66.6 -32.05 73.14 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.71 -43.78 65.91 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.437 1.018 . . . . 0.0 112.582 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -57.89 -51.02 71.35 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 117.625 0.712 . . . . 0.0 111.483 168.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -55.43 -45.15 76.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.174 0.989 . . . . 0.0 112.007 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.12 -27.37 63.53 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -174.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.39 -47.31 34.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.121 0.568 . . . . 0.0 110.789 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -76.31 -20.57 57.17 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.9 t -62.34 -21.3 65.19 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.147 0.885 . . . . 0.0 113.033 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.8 m -71.46 -23.55 61.85 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.831 -1.168 . . . . 0.0 113.176 173.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -79.47 -43.73 22.68 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.447 -0.783 . . . . 0.0 111.266 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.92 -160.48 26.89 Favored Glycine 0 CA--C 1.534 1.251 0 N-CA-C 116.107 1.203 . . . . 0.0 116.107 176.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.89 132.71 53.01 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.52 1.128 . . . . 0.0 111.844 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 mm -109.0 138.8 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.227 1.811 . . . . 0.0 110.316 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -96.96 -31.13 12.7 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.081 1.352 . . . . 0.0 112.734 169.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -164.21 154.85 15.17 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.271 1.028 . . . . 0.0 111.378 -177.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.79 150.3 49.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.556 138.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -102.55 144.72 30.61 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.981 1.713 . . . . 0.0 110.282 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.95 141.35 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.655 1.182 . . . . 0.0 110.211 160.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.4 tp -126.09 144.06 37.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -142.11 148.76 38.87 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 128.449 2.699 . . . . 0.0 108.807 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.06 98.39 6.44 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.215 1.371 . . . . 0.0 112.428 167.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -65.89 -26.52 67.66 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.181 1.392 . . . . 0.0 112.81 176.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -58.35 -42.54 87.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.813 1.245 . . . . 0.0 111.851 169.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.73 9.4 39.15 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.937 1.295 . . . . 0.0 112.721 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.29 21.71 66.6 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.666 1.603 . . . . 0.0 115.535 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -116.83 132.62 56.65 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.991 1.396 . . . . 0.0 113.861 -161.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 p -62.26 118.7 7.77 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 152.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -81.61 -23.62 36.93 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.749 -1.219 . . . . 0.0 111.203 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.75 15.5 66.75 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.641 1.115 . . . . 0.0 115.347 163.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -127.41 168.72 14.46 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.247 2.219 . . . . 0.0 108.981 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.54 178.25 34.84 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.391 0.996 . . . . 0.0 113.514 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -116.36 158.08 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.563 1.145 . . . . 0.0 110.689 162.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.12 138.89 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.938 1.295 . . . . 0.0 108.913 168.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 t -131.34 133.85 45.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.635 1.174 . . . . 0.0 111.327 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -109.65 156.54 20.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.433 1.493 . . . . 0.0 111.667 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -85.15 -16.32 40.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -132.47 146.28 51.82 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.871 1.214 . . . . 0.0 112.308 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -77.64 -40.81 40.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.62 1.168 . . . . 0.0 113.58 -163.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -73.28 -35.52 66.17 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.027 -1.046 . . . . 0.0 112.019 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -40.51 97.9 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.582 1.153 . . . . 0.0 112.148 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -59.87 -45.16 93.36 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.692 0.797 . . . . 0.0 112.082 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -71.96 -35.62 69.61 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.48 -0.762 . . . . 0.0 112.126 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -67.38 -30.24 69.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.068 0.547 . . . . 0.0 112.067 174.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.47 43.82 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 118.598 -0.715 . . . . 0.0 110.737 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.9 mm -54.09 -39.3 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 120.154 1.343 . . . . 0.0 113.211 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.15 -26.03 61.94 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 120.605 -1.31 . . . . 0.0 113.954 172.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.32 -33.6 22.48 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.64 1.114 . . . . 0.0 114.727 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 12.7 mtt -69.34 -41.74 76.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.471 1.908 . . . . 0.0 112.949 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -53.06 112.68 0.9 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.16 0.984 . . . . 0.0 111.957 -171.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.81 86.98 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.754 1.462 . . . . 0.0 116.754 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -69.24 146.28 52.46 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.12 1.96 . . . . 0.0 112.957 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -86.6 86.1 7.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.852 1.261 . . . . 0.0 108.943 169.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -95.82 127.85 42.2 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.066 0.946 . . . . 0.0 110.029 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.9 t70 55.09 23.2 5.05 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 122.218 1.008 . . . . 0.0 112.825 -160.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.26 -5.88 83.2 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.675 2.083 . . . . 0.0 115.54 -172.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -108.08 134.87 50.35 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.449 1.624 . . . . 0.0 111.852 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.6 m -64.24 118.75 9.08 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.732 0.813 . . . . 0.0 111.946 -176.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.0 tt -93.85 161.43 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.399 1.48 . . . . 0.0 112.395 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.6 t -136.64 146.21 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.81 1.644 . . . . 0.0 108.694 173.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.9 m -127.18 142.71 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.865 1.266 . . . . 0.0 113.659 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.19 160.4 38.68 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.776 1.231 . . . . 0.0 111.35 152.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 153.25 17.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.764 1.226 . . . . 0.0 113.685 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.29 26.99 5.1 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.704 1.602 . . . . 0.0 113.187 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.12 -24.35 14.91 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.02 -1.05 . . . . 0.0 112.565 171.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 p -48.72 -34.28 11.76 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.44 1.896 . . . . 0.0 114.055 165.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -79.58 -7.23 58.37 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.626 1.571 . . . . 0.0 115.018 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.95 -13.78 42.36 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 125.093 1.33 . . . . 0.0 114.167 170.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -111.97 153.44 26.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.576 2.35 . . . . 0.0 109.848 168.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.3 159.87 35.97 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.459 1.028 . . . . 0.0 113.328 -169.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.156 0 C-N-CA 125.279 1.419 . . . . 0.0 112.639 -174.18 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mpp? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.9 105.98 6.65 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.263 1.025 . . . . 0.0 111.057 170.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -97.08 104.05 16.03 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.274 1.429 . . . . 0.0 110.429 -176.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.9 m -55.56 172.67 0.15 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.717 2.007 . . . . 0.0 112.928 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -63.71 -31.08 72.14 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.102 -1.624 . . . . 0.0 113.475 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.91 -9.67 85.07 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.07 1.795 . . . . 0.0 115.319 173.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.73 159.27 15.02 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.644 1.578 . . . . 0.0 112.362 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -140.24 149.55 43.01 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -169.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -90.5 73.94 6.85 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.489 -0.757 . . . . 0.0 110.35 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -113.94 137.26 51.92 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.512 1.125 . . . . 0.0 111.727 -172.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.29 157.07 46.39 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.319 1.047 . . . . 0.0 112.768 175.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -76.36 151.12 36.73 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.784 2.034 . . . . 0.0 111.754 170.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.75 120.04 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.248 1.819 . . . . 0.0 110.361 170.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.14 124.19 5.92 Favored Glycine 0 N--CA 1.474 1.208 0 C-N-CA 124.434 1.016 . . . . 0.0 112.481 172.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 p -179.79 -24.21 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.961 1.704 . . . . 0.0 114.147 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.96 159.37 20.08 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.079 1.352 . . . . 0.0 113.252 -161.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.7 m -127.17 169.63 13.25 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 126.913 2.085 . . . . 0.0 109.792 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -54.02 -33.68 57.87 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -78.7 -31.36 46.5 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.559 1.143 . . . . 0.0 113.334 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.12 156.51 37.31 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.273 1.429 . . . . 0.0 112.265 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -148.78 -165.57 2.31 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.478 -0.763 . . . . 0.0 112.492 163.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -54.88 -31.44 59.86 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 121.619 -0.676 . . . . 0.0 112.496 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -52.97 -44.55 67.24 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.307 0.958 . . . . 0.0 112.395 -177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.44 -36.71 43.37 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.476 -176.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.29 -37.82 56.98 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.996 1.398 . . . . 0.0 111.655 173.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -57.95 -43.98 86.7 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.612 1.165 . . . . 0.0 110.588 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.18 82.2 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.28 74.0 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.588 -0.695 . . . . 0.0 111.621 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -73.88 -30.63 62.73 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.49 1.116 . . . . 0.0 113.097 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.8 t -60.16 -20.11 56.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.218 1.007 . . . . 0.0 113.418 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.8 m -80.18 -15.14 57.7 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -88.38 -26.28 22.26 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.661 1.184 . . . . 0.0 113.108 176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.3 -173.86 46.19 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.632 1.11 . . . . 0.0 113.489 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.03 115.33 5.96 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.214 1.006 . . . . 0.0 111.392 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.7 tp -88.14 145.17 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 127.341 2.256 . . . . 0.0 111.871 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tt -113.24 -55.6 2.5 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.836 1.254 . . . . 0.0 113.042 -171.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -164.15 154.72 15.18 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.562 1.945 . . . . 0.0 110.43 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.08 147.36 40.16 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.814 0.846 . . . . 0.0 112.956 167.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 59.4 tptt -102.09 150.45 23.24 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.098 2.159 . . . . 0.0 110.389 177.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.55 145.67 34.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 126.019 1.727 . . . . 0.0 108.573 161.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.514 HG23 ' HB2' ' A' ' 50' ' ' ARG . 11.0 tp -132.57 137.39 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-O 123.158 1.456 . . . . 0.0 114.816 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -158.38 -177.74 6.76 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.855 2.862 . . . . 0.0 110.07 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -122.53 125.23 45.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.775 0.83 . . . . 0.0 110.193 151.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -78.19 -17.64 56.52 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 169.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.53 -57.06 4.08 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.063 0.847 . . . . 0.0 110.215 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.7 p -86.72 2.97 46.8 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 173.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.15 30.93 66.87 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 116.143 1.217 . . . . 0.0 116.143 164.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -118.68 122.21 41.98 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.916 1.686 . . . . 0.0 112.75 -169.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 m -75.39 141.47 43.24 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.338 -0.851 . . . . 0.0 110.207 166.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.514 ' HB2' HG23 ' A' ' 41' ' ' ILE . 19.7 mtp85 -90.78 -26.01 19.68 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.737 0.415 . . . . 0.0 111.376 168.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.29 19.62 58.48 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.12 1.343 . . . . 0.0 114.81 167.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -144.65 172.97 12.25 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.301 -1.117 . . . . 0.0 112.031 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.74 -177.22 31.62 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 125.518 1.532 . . . . 0.0 113.376 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.555 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 69.5 m-85 -115.76 161.42 18.76 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.104 1.362 . . . . 0.0 110.188 161.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -148.36 150.62 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.901 1.28 . . . . 0.0 110.888 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.8 t -143.03 153.42 42.94 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -171.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -126.11 167.04 15.93 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.721 2.008 . . . . 0.0 113.844 -171.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.3 p -78.54 -19.09 53.66 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -147.94 162.08 40.03 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.32 1.448 . . . . 0.0 113.643 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -63.95 -33.62 76.14 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.089 1.756 . . . . 0.0 113.05 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -66.94 -49.89 64.05 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.601 -0.687 . . . . 0.0 112.746 -168.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.78 74.66 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -64.45 -49.12 72.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.503 0.592 . . . . 0.0 111.336 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -71.76 -35.67 70.15 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.09 -1.006 . . . . 0.0 112.273 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.89 -31.43 72.36 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.94 0.896 . . . . 0.0 112.127 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.68 -59.44 2.95 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.31 171.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.9 mm -53.07 -37.87 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 120.128 1.331 . . . . 0.0 112.655 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.52 -44.85 77.04 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.8 1.24 . . . . 0.0 113.093 172.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.95 -23.56 29.78 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.401 1.0 . . . . 0.0 115.055 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.438 ' HB3' HG11 ' A' ' 82' ' ' VAL . 12.8 mmt -74.72 -32.25 62.08 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.814 1.307 . . . . 0.0 114.306 -166.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -55.69 109.29 0.54 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 120.377 1.444 . . . . 0.0 112.112 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.46 6.3 89.0 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.177 1.37 . . . . 0.0 116.259 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -64.66 139.64 58.78 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.731 2.266 . . . . 0.0 110.751 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -82.4 98.16 8.73 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 122.011 -0.431 . . . . 0.0 111.94 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.5 mp -111.02 135.4 51.58 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.051 1.74 . . . . 0.0 109.837 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.9 t70 51.57 29.39 5.44 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.049 0.939 . . . . 0.0 113.398 -174.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.78 17.23 80.09 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.521 -1.362 . . . . 0.0 115.493 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -131.57 145.6 51.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.371 1.868 . . . . 0.0 111.712 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 81.0 p -70.18 127.08 31.58 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.671 -0.643 . . . . 0.0 111.251 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.9 tt -94.61 144.97 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.712 0.768 . . . . 0.0 112.98 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.61 133.67 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.705 1.602 . . . . 0.0 108.603 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 70' ' ' MET . 8.7 m -133.19 141.33 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -169.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -154.94 159.87 40.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.551 1.14 . . . . 0.0 110.838 164.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -59.62 146.34 41.33 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.162 -0.961 . . . . 0.0 110.831 169.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.82 -0.35 10.16 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -70.09 -24.41 63.21 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.509 1.05 . . . . 0.0 112.019 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.6 p -70.54 -17.52 62.93 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 170.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -96.35 17.95 14.89 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.218 1.807 . . . . 0.0 113.9 -168.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.45 160.44 10.35 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.305 0.955 . . . . 0.0 114.726 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -139.33 -3.61 1.53 Allowed 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.81 -11.03 85.79 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.165 -0.959 . . . . 0.0 114.696 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.389 1.947 . . . . 0.0 110.128 -179.036 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.464 0.173 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.79 88.66 5.22 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.967 -1.083 . . . . 0.0 110.562 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -88.32 92.28 9.11 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.597 1.159 . . . . 0.0 109.898 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.2 m -70.42 179.9 2.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.104 1.762 . . . . 0.0 113.108 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -54.06 -36.63 63.31 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.644 1.578 . . . . 0.0 114.718 -173.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.68 -15.26 81.72 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 115.284 0.874 . . . . 0.0 115.284 175.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.91 -170.21 2.08 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.701 1.6 . . . . 0.0 112.266 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -133.95 125.4 28.16 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.484 1.114 . . . . 0.0 112.566 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -92.77 79.49 4.74 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 123.046 1.403 . . . . 0.0 110.728 173.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -140.35 153.62 46.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.851 2.06 . . . . 0.0 110.986 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.82 155.67 49.41 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.557 0.694 . . . . 0.0 112.028 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -74.41 149.87 40.25 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.477 1.111 . . . . 0.0 110.629 167.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -138.18 104.7 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.343 1.457 . . . . 0.0 108.468 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.21 120.44 6.17 Favored Glycine 0 N--CA 1.47 0.935 0 CA-C-O 119.376 -0.68 . . . . 0.0 111.843 173.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.5 p -177.47 -19.61 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.0 mt -76.79 166.15 23.75 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 122.767 1.27 . . . . 0.0 113.844 -163.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 m -147.01 173.62 12.28 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.637 2.375 . . . . 0.0 109.23 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -56.07 -24.93 42.99 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -170.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -90.12 -25.46 20.7 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.861 1.209 . . . . 0.0 113.996 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.46 155.27 34.02 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.632 1.106 . . . . 0.0 110.877 172.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.39 -167.97 2.97 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 121.463 -0.773 . . . . 0.0 112.672 167.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -51.99 -31.88 31.34 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -71.56 -29.56 64.87 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.042 -1.036 . . . . 0.0 112.386 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.33 -31.27 47.15 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-O 118.453 -1.193 . . . . 0.0 113.424 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.11 -40.76 44.67 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.336 1.068 . . . . 0.0 111.418 164.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.33 -48.19 81.35 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 120.154 1.343 . . . . 0.0 111.542 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.31 -39.36 89.25 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.097 0.862 . . . . 0.0 112.602 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -26.43 62.35 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.352 1.061 . . . . 0.0 113.67 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -88.63 -25.31 22.49 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.33 1.052 . . . . 0.0 112.887 175.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m -59.85 -19.52 51.61 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -72.11 -22.26 61.36 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.988 -1.07 . . . . 0.0 113.623 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -84.4 -31.6 24.59 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.593 0.757 . . . . 0.0 112.115 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.09 -169.47 41.3 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-O 122.328 0.96 . . . . 0.0 114.32 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -95.18 129.11 42.42 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 125.783 1.633 . . . . 0.0 110.871 -172.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.6 mm -101.09 137.23 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.326 1.45 . . . . 0.0 112.012 -165.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -110.64 -14.55 14.03 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.768 1.227 . . . . 0.0 112.916 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -152.12 144.09 23.78 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.329 0.968 . . . . 0.0 111.518 170.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.15 112.36 7.71 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.527 1.531 . . . . 0.0 107.282 161.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 43.6 tptt -103.13 141.79 35.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.163 1.385 . . . . 0.0 110.437 -178.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.61 138.38 50.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 125.645 1.578 . . . . 0.0 109.968 168.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 tp -112.71 122.09 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-O 122.229 1.014 . . . . 0.0 112.129 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -147.95 129.36 14.84 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 128.623 2.769 . . . . 0.0 108.343 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -113.37 89.56 3.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.86 0.864 . . . . 0.0 110.122 166.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -55.12 -42.58 73.17 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.219 1.407 . . . . 0.0 112.22 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.69 -31.42 72.59 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.35 1.46 . . . . 0.0 112.354 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.2 m -94.99 -9.56 33.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.552 1.541 . . . . 0.0 112.289 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.39 30.09 63.04 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.29 0.947 . . . . 0.0 113.198 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -117.31 81.81 1.71 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.092 1.757 . . . . 0.0 110.954 -166.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.8 m -85.06 96.82 9.54 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.941 0.896 . . . . 0.0 109.382 168.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -67.29 -30.48 70.35 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.249 1.02 . . . . 0.0 111.711 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.23 29.02 51.91 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.038 0.828 . . . . 0.0 115.071 166.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -155.21 175.89 13.26 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.75 1.22 . . . . 0.0 111.84 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.6 -149.03 7.64 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.247 0.927 . . . . 0.0 112.936 162.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.524 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 18.0 m-85 -114.09 158.76 20.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.547 1.539 . . . . 0.0 111.891 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.79 138.98 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.485 1.114 . . . . 0.0 110.023 165.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 p -125.92 142.39 51.54 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.142 0.883 . . . . 0.0 113.015 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -103.78 168.89 8.85 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.719 1.208 . . . . 0.0 112.244 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 m -88.77 -29.08 20.05 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.044 1.338 . . . . 0.0 112.42 167.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -138.53 151.04 46.98 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.158 1.383 . . . . 0.0 112.646 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -80.61 -29.74 36.81 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -72.25 -35.71 68.87 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.074 -1.016 . . . . 0.0 111.335 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.89 97.6 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.478 0.711 . . . . 0.0 111.461 169.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.0 ttp -58.85 -40.68 84.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.815 0.846 . . . . 0.0 112.117 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.24 -44.89 58.69 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.36 -0.837 . . . . 0.0 112.957 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.3 -31.99 73.41 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.945 -0.55 . . . . 0.0 111.425 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.96 -59.39 3.54 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.268 0.627 . . . . 0.0 111.411 171.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.6 mt -51.52 -42.53 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 125.126 1.37 . . . . 0.0 112.142 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.87 -39.05 68.26 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.904 0.881 . . . . 0.0 112.918 171.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.85 6.33 81.92 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 127.05 2.262 . . . . 0.0 115.77 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.0 mmt -113.22 -33.59 5.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.877 1.838 . . . . 0.0 113.156 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -56.15 105.27 0.18 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.657 0.783 . . . . 0.0 110.341 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.08 15.46 81.07 Favored Glycine 0 CA--C 1.534 1.257 0 N-CA-C 116.469 1.348 . . . . 0.0 116.469 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -72.99 175.17 6.88 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.127 1.964 . . . . 0.0 112.17 172.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.27 139.95 35.21 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.249 1.02 . . . . 0.0 110.664 154.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.63 135.9 33.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.766 1.626 . . . . 0.0 109.273 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.8 t0 50.15 25.3 1.7 Allowed 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -167.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.51 3.37 90.65 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.96 1.743 . . . . 0.0 115.721 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -112.01 146.83 37.2 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.924 1.69 . . . . 0.0 109.77 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.2 m -55.37 129.7 39.62 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.477 1.035 . . . . 0.0 111.327 170.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.2 tt -101.72 144.59 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.346 1.059 . . . . 0.0 111.659 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.1 t -128.99 140.38 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 126.412 1.885 . . . . 0.0 109.429 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.4 m -126.85 151.07 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.158 1.383 . . . . 0.0 112.605 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -156.23 158.32 37.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.663 1.185 . . . . 0.0 111.811 162.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -56.35 149.34 16.84 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.256 1.022 . . . . 0.0 111.844 170.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.3 15.84 4.55 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -172.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -58.9 -23.39 61.04 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 120.001 -1.687 . . . . 0.0 113.339 173.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 m -58.35 -17.21 18.38 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 119.883 1.22 . . . . 0.0 113.859 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -117.52 21.68 12.87 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.948 2.499 . . . . 0.0 112.681 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.96 -173.57 35.39 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.658 1.123 . . . . 0.0 114.322 173.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -53.89 139.13 34.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.759 1.224 . . . . 0.0 112.333 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.31 -12.7 5.35 Favored Glycine 0 CA--C 1.54 1.616 0 N-CA-C 115.553 0.981 . . . . 0.0 115.553 -175.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.323 0 C-N-CA 125.857 1.694 . . . . 0.0 115.465 176.438 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.76 93.61 4.34 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.342 1.057 . . . . 0.0 109.13 170.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -103.69 103.8 13.75 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 126.738 2.015 . . . . 0.0 110.658 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.4 p -140.4 73.59 1.43 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 147.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.52 -73.32 0.66 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.74 1.155 . . . . 0.0 110.432 167.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.18 -19.53 12.49 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.663 1.125 . . . . 0.0 113.764 173.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.46 142.36 28.04 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.646 1.578 . . . . 0.0 111.182 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -141.45 156.94 45.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.756 1.223 . . . . 0.0 112.805 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.53 79.6 1.23 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.089 1.356 . . . . 0.0 109.689 171.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -142.59 145.92 34.04 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.842 2.057 . . . . 0.0 110.722 -176.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.7 p -143.98 150.73 38.74 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -73.54 141.73 46.69 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.659 1.184 . . . . 0.0 110.904 164.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.44 145.81 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.51 1.924 . . . . 0.0 111.425 -173.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.29 124.63 1.3 Allowed Glycine 0 N--CA 1.468 0.772 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 170.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.8 p -162.24 24.18 0.11 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.435 2.294 . . . . 0.0 111.564 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.77 168.88 10.38 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.709 1.243 . . . . 0.0 111.875 -166.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.6 p -136.71 177.05 8.16 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.946 2.499 . . . . 0.0 109.09 173.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -50.76 -21.46 1.65 Allowed 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 169.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -93.48 -32.25 14.26 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.494 1.117 . . . . 0.0 113.843 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.03 153.08 29.05 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.223 0.92 . . . . 0.0 111.854 174.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -150.05 -160.73 1.21 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 169.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -49.14 -31.87 9.03 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.426 1.09 . . . . 0.0 113.906 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -35.46 80.6 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.407 1.003 . . . . 0.0 112.142 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.3 -39.11 62.45 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.044 0.83 . . . . 0.0 112.798 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.31 -39.75 85.93 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.508 0.723 . . . . 0.0 112.357 171.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.98 -45.32 93.07 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.959 0.904 . . . . 0.0 110.577 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.02 89.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.649 0.78 . . . . 0.0 112.668 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -33.07 72.93 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -175.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -103.34 -13.06 16.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 174.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -55.37 -22.21 18.64 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 m -83.1 -11.39 58.04 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.548 1.539 . . . . 0.0 114.747 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -93.76 -39.58 10.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.108 1.363 . . . . 0.0 112.278 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.27 -160.44 23.1 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 123.94 0.781 . . . . 0.0 112.384 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -90.39 133.71 34.82 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 122.047 -0.678 . . . . 0.0 112.376 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 mm -75.02 136.22 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 125.045 1.338 . . . . 0.0 110.43 174.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.9 mt -113.03 -16.16 12.7 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.255 167.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -153.73 148.34 26.27 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.933 1.697 . . . . 0.0 112.404 169.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.94 137.42 33.08 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.529 1.132 . . . . 0.0 109.909 157.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -125.94 141.52 51.93 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.397 2.279 . . . . 0.0 109.943 -176.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.9 139.0 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.125 1.37 . . . . 0.0 109.585 166.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 tt -116.13 117.09 54.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-O 122.693 1.235 . . . . 0.0 112.366 166.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -157.59 159.32 36.96 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.721 1.608 . . . . 0.0 112.218 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -133.84 125.1 27.69 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.124 -0.985 . . . . 0.0 109.742 146.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -77.17 -38.78 51.05 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.514 0.597 . . . . 0.0 111.333 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.91 -42.32 90.3 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.836 2.055 . . . . 0.0 113.088 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -94.81 16.57 15.53 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.086 1.355 . . . . 0.0 113.801 170.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.57 11.03 72.1 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 116.79 1.476 . . . . 0.0 116.79 166.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -108.89 70.98 0.76 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.893 2.077 . . . . 0.0 112.682 -171.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.3 m -73.94 107.21 6.02 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 161.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmp_? -70.8 -30.81 67.37 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.65 -0.656 . . . . 0.0 111.083 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.21 22.74 67.4 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 123.819 0.723 . . . . 0.0 113.517 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -135.97 172.57 12.81 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 127.115 2.166 . . . . 0.0 111.019 -168.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.29 -177.01 41.48 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 125.237 1.399 . . . . 0.0 113.72 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -113.48 154.85 26.36 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.562 1.145 . . . . 0.0 110.351 162.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.41 143.55 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.435 1.094 . . . . 0.0 109.555 170.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 p -129.07 143.98 51.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.23 1.014 . . . . 0.0 112.778 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.12 -172.65 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 127.015 2.126 . . . . 0.0 110.518 -170.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 p -123.98 -10.39 7.67 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -144.1 151.08 39.11 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.374 1.443 . . . . 0.0 114.361 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -70.4 -42.48 71.62 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.3 1.44 . . . . 0.0 113.46 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -71.53 -35.47 70.69 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.918 -1.114 . . . . 0.0 111.617 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.33 -44.74 94.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.405 1.082 . . . . 0.0 111.531 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.6 ttt -57.01 -40.39 76.53 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.193 0.597 . . . . 0.0 111.742 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -80.05 -29.87 39.31 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.877 1.217 . . . . 0.0 113.707 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -67.79 -34.51 76.91 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.271 0.941 . . . . 0.0 110.006 168.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.23 -58.23 3.46 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 25.4 mm -58.2 -37.38 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 120.217 1.371 . . . . 0.0 112.802 -174.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -72.57 -26.37 61.69 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.79 1.177 . . . . 0.0 113.67 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.8 -7.49 59.97 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.822 1.677 . . . . 0.0 115.685 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.1 mmt -91.96 -41.55 10.51 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.622 1.569 . . . . 0.0 112.562 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -65.88 113.48 4.4 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.628 -0.67 . . . . 0.0 111.529 -163.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.26 5.03 83.27 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 118.103 -1.387 . . . . 0.0 116.112 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -59.04 132.95 55.56 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.118 1.959 . . . . 0.0 110.129 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -75.04 108.48 7.8 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 167.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 tt -132.93 132.51 42.08 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.957 1.703 . . . . 0.0 111.197 -170.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.8 t70 51.43 20.31 0.97 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.231 1.413 . . . . 0.0 114.66 -172.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.82 11.84 61.33 Favored Glycine 0 CA--C 1.541 1.702 0 N-CA-C 116.42 1.328 . . . . 0.0 116.42 -174.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -134.67 162.12 33.22 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.234 1.814 . . . . 0.0 111.015 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 t -88.76 124.07 33.78 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.056 -1.027 . . . . 0.0 111.328 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.1 tt -88.46 153.72 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-O 121.777 0.799 . . . . 0.0 113.074 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.97 144.22 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.321 1.849 . . . . 0.0 108.248 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -132.33 139.12 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.075 0.95 . . . . 0.0 112.701 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -157.03 149.0 22.73 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.494 0.718 . . . . 0.0 112.931 161.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.49 153.82 15.22 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.204 1.801 . . . . 0.0 114.119 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -116.94 23.15 12.11 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.503 1.521 . . . . 0.0 113.274 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -92.43 -40.8 10.66 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.901 1.68 . . . . 0.0 112.501 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.0 m -73.0 -35.51 66.84 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.003 0.921 . . . . 0.0 113.327 -174.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -66.75 -28.7 68.62 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.768 1.227 . . . . 0.0 112.627 175.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.11 0.44 58.89 Favored Glycine 0 CA--C 1.534 1.229 0 N-CA-C 115.509 0.964 . . . . 0.0 115.509 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -69.55 142.96 53.52 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.942 1.371 . . . . 0.0 111.647 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.29 -4.68 66.42 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 124.445 1.021 . . . . 0.0 115.465 -171.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.199 0 C-N-CA 126.245 1.879 . . . . 0.0 112.911 173.591 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.65 115.63 12.33 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.242 1.017 . . . . 0.0 110.612 166.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -76.38 79.15 3.12 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 123.285 1.517 . . . . 0.0 113.134 -177.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 p -124.81 -177.59 3.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.723 2.409 . . . . 0.0 110.12 173.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -52.23 -31.01 30.18 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -162.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.35 -33.76 78.33 Favored Glycine 0 CA--C 1.534 1.261 0 O-C-N 121.305 -0.872 . . . . 0.0 113.756 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.71 72.29 1.23 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.819 1.248 . . . . 0.0 112.753 -176.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -122.75 157.41 32.41 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.077 1.351 . . . . 0.0 111.794 172.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -113.78 75.77 0.94 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.73 0.776 . . . . 0.0 109.857 -170.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -142.13 136.72 30.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.471 1.909 . . . . 0.0 110.961 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.8 p -147.36 158.08 43.83 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.943 0.897 . . . . 0.0 113.226 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -95.86 149.42 21.55 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.295 2.238 . . . . 0.0 111.79 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.19 131.7 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.619 1.567 . . . . 0.0 112.251 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.02 135.52 12.7 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.678 1.132 . . . . 0.0 110.807 160.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p 170.22 -13.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 126.196 1.798 . . . . 0.0 114.735 171.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.42 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 10.1 mt -79.12 158.15 27.81 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.695 -1.253 . . . . 0.0 112.742 -163.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 m -140.54 175.67 9.41 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 128.614 2.766 . . . . 0.0 109.885 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -48.36 -30.47 4.98 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -100.29 -2.68 33.06 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.683 1.193 . . . . 0.0 113.904 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.34 154.88 18.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.057 0.943 . . . . 0.0 110.175 162.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -148.08 -172.12 3.99 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.917 0.887 . . . . 0.0 110.281 162.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -54.21 -44.81 71.97 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.971 1.309 . . . . 0.0 113.805 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -57.54 -43.6 84.54 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.44 -31.08 77.77 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 119.5 -0.611 . . . . 0.0 113.869 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.87 -38.81 52.93 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.026 0.913 . . . . 0.0 111.791 168.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.51 -41.82 86.31 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.757 1.162 . . . . 0.0 111.122 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.45 -41.12 96.71 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.851 0.861 . . . . 0.0 112.693 174.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.32 -24.37 63.0 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -88.14 -29.6 20.45 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.365 1.466 . . . . 0.0 113.956 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 m -61.5 -21.56 64.32 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.67 -0.643 . . . . 0.0 111.51 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 m -62.16 -18.87 62.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.919 1.687 . . . . 0.0 114.351 171.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.76 -35.09 11.09 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.857 -1.152 . . . . 0.0 113.922 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.8 -158.0 26.66 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 119.005 0.82 . . . . 0.0 114.625 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.83 130.94 37.29 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 122.266 1.031 . . . . 0.0 113.437 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.3 tt -118.95 139.24 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 126.213 1.805 . . . . 0.0 112.313 -170.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -106.2 -31.33 8.71 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.746 1.218 . . . . 0.0 113.219 -175.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -168.44 155.78 7.82 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.535 1.134 . . . . 0.0 111.242 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.76 147.09 51.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.529 0.731 . . . . 0.0 109.286 152.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -107.03 138.49 43.09 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.499 1.52 . . . . 0.0 110.09 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.2 144.35 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.644 1.178 . . . . 0.0 110.248 162.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' HB2' ' A' ' 50' ' ' ARG . 9.1 tp -127.99 133.33 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 CA-C-O 122.869 1.318 . . . . 0.0 113.371 166.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -158.16 157.35 32.54 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 130.204 3.402 . . . . 0.0 107.009 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -110.14 91.2 3.56 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.372 0.987 . . . . 0.0 111.282 156.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -52.1 -23.88 6.03 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.55 1.94 . . . . 0.0 114.115 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -58.73 -38.83 79.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.283 1.033 . . . . 0.0 112.399 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -119.55 -13.75 9.17 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.776 1.23 . . . . 0.0 113.085 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.94 30.0 11.99 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.732 1.634 . . . . 0.0 114.463 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -78.43 80.77 4.81 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.738 1.269 . . . . 0.0 110.859 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 p -67.04 119.64 12.33 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.637 0.775 . . . . 0.0 111.409 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.552 ' HB2' HG23 ' A' ' 41' ' ' ILE . 9.6 mmm180 -75.33 -32.13 60.81 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.865 -1.147 . . . . 0.0 110.593 167.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 78.94 14.24 82.21 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.96 1.743 . . . . 0.0 115.483 165.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -132.43 171.78 13.31 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.657 1.583 . . . . 0.0 111.758 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.68 173.47 36.42 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.159 1.361 . . . . 0.0 113.026 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -115.75 159.78 20.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.41 0.684 . . . . 0.0 111.538 160.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 p -134.76 146.82 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.758 1.623 . . . . 0.0 110.364 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -137.3 142.92 41.89 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.152 0.981 . . . . 0.0 112.957 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -122.44 159.75 26.96 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.73 1.612 . . . . 0.0 112.992 -169.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.9 m -70.77 -24.63 62.63 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 171.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -137.28 151.65 48.91 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.99 1.316 . . . . 0.0 112.239 -168.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -72.81 -44.72 61.14 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.763 1.225 . . . . 0.0 111.645 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -65.07 -32.03 73.53 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.873 -0.585 . . . . 0.0 111.909 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.56 -46.95 83.56 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.538 0.735 . . . . 0.0 111.546 173.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.0 ttp -61.25 -44.71 96.8 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.367 0.531 . . . . 0.0 111.742 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -72.23 -37.57 69.15 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.624 -0.672 . . . . 0.0 112.277 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.2 -27.33 61.56 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.711 0.805 . . . . 0.0 111.952 175.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.73 -57.3 7.4 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.022 0.529 . . . . 0.0 111.031 169.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.0 mt -51.3 -45.33 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.833 1.253 . . . . 0.0 111.671 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -61.5 -30.56 70.7 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.847 0.859 . . . . 0.0 113.128 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.18 -15.0 63.25 Favored Glycine 0 CA--C 1.539 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 115.307 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.3 mmt -95.65 -31.56 13.2 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -166.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -61.16 100.0 0.11 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.681 1.128 . . . . 0.0 111.602 -172.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.83 5.14 66.68 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-O 117.439 -1.756 . . . . 0.0 116.652 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -59.95 139.18 57.58 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 120.631 2.215 . . . . 0.0 111.126 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -80.19 125.38 29.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 110.242 166.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 tp -146.26 137.6 24.6 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 125.09 1.356 . . . . 0.0 110.599 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.3 t0 48.63 24.4 0.78 Allowed 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -172.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.88 16.83 80.43 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 126.181 1.848 . . . . 0.0 116.39 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -124.22 160.51 27.75 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.171 1.788 . . . . 0.0 111.235 174.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.7 m -94.55 126.77 40.04 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.083 0.553 . . . . 0.0 111.01 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.4 mt -75.63 146.56 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.435 1.094 . . . . 0.0 112.201 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.7 t -127.1 135.68 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.354 1.462 . . . . 0.0 109.161 163.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.84 139.07 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.805 1.642 . . . . 0.0 112.836 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -151.74 152.54 32.86 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 164.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 142.46 56.96 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.788 1.235 . . . . 0.0 113.444 176.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.23 -10.96 55.96 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -67.5 -37.05 82.26 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.017 -1.052 . . . . 0.0 112.826 -171.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 p -77.88 -16.01 58.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.055 1.742 . . . . 0.0 113.984 170.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -77.14 22.4 0.21 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.222 1.409 . . . . 0.0 113.374 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.81 163.8 32.95 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.388 1.47 . . . . 0.0 113.461 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -153.56 141.99 20.7 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.891 1.676 . . . . 0.0 110.1 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.24 -129.33 9.11 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.77 0.7 . . . . 0.0 112.708 -174.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.889 177.355 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.5 mmm . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.03 104.33 12.88 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.49 1.516 . . . . 0.0 108.042 163.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -81.59 82.92 7.19 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.002 0.921 . . . . 0.0 112.414 -170.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.7 178.09 3.23 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.068 0.947 . . . . 0.0 112.335 172.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.2 -15.87 38.93 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -164.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.76 -22.46 28.34 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.634 1.112 . . . . 0.0 114.392 175.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.63 -173.87 4.38 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.899 1.28 . . . . 0.0 110.873 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -138.2 132.1 31.32 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.749 -1.219 . . . . 0.0 112.16 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.56 75.24 9.75 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 123.884 1.802 . . . . 0.0 109.772 172.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -143.2 142.13 31.33 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 129.862 3.265 . . . . 0.0 107.071 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.84 153.31 47.57 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.929 0.786 . . . . 0.0 111.885 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -88.3 146.53 25.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.965 1.706 . . . . 0.0 109.76 168.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 t -135.15 103.59 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.298 1.439 . . . . 0.0 109.12 -166.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.98 118.22 6.11 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 172.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 p -175.85 -34.18 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.0 mt -66.6 167.04 11.65 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 123.419 1.58 . . . . 0.0 113.602 -162.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -148.21 175.16 11.28 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.293 1.837 . . . . 0.0 110.293 -171.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -46.7 -33.58 4.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.321 1.849 . . . . 0.0 114.527 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -98.11 -15.49 19.94 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.13 147.25 23.2 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 119.994 1.27 . . . . 0.0 112.772 -178.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -146.24 -174.37 4.43 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -50.31 -49.78 52.69 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.947 1.699 . . . . 0.0 113.463 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -26.79 65.0 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.58 -45.8 10.55 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.81 1.195 . . . . 0.0 113.656 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.17 -38.23 81.84 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.094 1.447 . . . . 0.0 110.85 172.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.54 -47.1 66.94 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.86 0.864 . . . . 0.0 111.658 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.77 87.91 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.409 1.004 . . . . 0.0 113.586 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.0 -41.05 62.48 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.431 0.692 . . . . 0.0 112.089 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -70.08 -29.3 66.25 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.851 -1.155 . . . . 0.0 112.433 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.0 t -64.71 -20.07 66.12 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.43 1.092 . . . . 0.0 112.953 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -69.47 -13.64 62.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.486 1.114 . . . . 0.0 113.85 172.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -98.76 -42.39 7.23 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.583 1.153 . . . . 0.0 112.192 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.74 -174.48 38.7 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 115.143 0.817 . . . . 0.0 115.143 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.54 129.82 37.01 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.211 1.804 . . . . 0.0 112.345 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mm -105.27 144.31 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.598 1.559 . . . . 0.0 112.985 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.1 mt -102.65 -46.12 4.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.749 1.62 . . . . 0.0 113.034 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -154.6 152.91 30.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.329 1.052 . . . . 0.0 112.146 -169.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.46 142.65 37.37 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.023 1.329 . . . . 0.0 111.031 160.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -107.62 148.07 29.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.896 2.078 . . . . 0.0 109.156 171.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.46 144.81 31.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 125.077 1.351 . . . . 0.0 108.47 162.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' ' 50' ' ' ARG . 5.4 tp -115.65 110.44 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 122.611 1.196 . . . . 0.0 112.071 172.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -152.38 115.66 4.71 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.982 1.713 . . . . 0.0 109.062 171.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -93.54 87.74 5.64 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 167.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -63.59 -34.61 78.19 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.845 1.258 . . . . 0.0 113.221 -168.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.93 -19.73 64.2 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 119.215 0.916 . . . . 0.0 112.988 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.6 m -90.97 -12.28 36.44 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 120.73 -1.232 . . . . 0.0 111.963 168.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.7 21.43 78.86 Favored Glycine 0 CA--C 1.538 1.516 0 O-C-N 120.869 -1.144 . . . . 0.0 113.349 -170.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -98.16 70.6 2.07 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 127.046 2.138 . . . . 0.0 110.663 -164.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p -81.43 96.3 7.33 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.906 1.683 . . . . 0.0 111.284 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HB2' HG23 ' A' ' 41' ' ' ILE . 5.4 mmp_? -72.73 -24.37 60.97 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.986 -1.071 . . . . 0.0 112.719 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.54 33.11 61.23 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 118.465 0.575 . . . . 0.0 114.534 165.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -150.82 172.65 15.29 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 125.367 1.467 . . . . 0.0 111.2 173.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.4 -179.61 37.93 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 124.556 1.074 . . . . 0.0 113.761 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.02 160.56 18.0 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.594 1.158 . . . . 0.0 110.767 164.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.55 142.21 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.078 1.751 . . . . 0.0 109.932 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.1 t -135.2 138.66 43.84 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.325 0.966 . . . . 0.0 113.365 -172.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -115.36 162.34 17.26 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.966 1.707 . . . . 0.0 112.781 -175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.5 p -94.24 -6.1 45.38 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -139.66 151.27 45.81 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.545 1.066 . . . . 0.0 113.173 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -66.21 -41.44 90.15 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.221 1.808 . . . . 0.0 113.12 -173.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -78.78 -22.43 46.38 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.002 0.921 . . . . 0.0 112.754 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.13 -46.72 66.93 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.55 -1.344 . . . . 0.0 110.891 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.9 tpt -48.8 -52.31 24.69 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.25 1.82 . . . . 0.0 112.849 169.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -84.09 -26.96 28.56 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -73.01 -26.87 61.48 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.895 -1.128 . . . . 0.0 111.722 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.42 -60.31 2.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.564 0.745 . . . . 0.0 111.504 168.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.9 mt -46.84 -48.23 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.159 1.384 . . . . 0.0 112.903 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.95 -21.74 64.17 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.37 -38.42 21.55 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.251 -0.905 . . . . 0.0 113.216 165.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 22.5 mmt -73.96 -31.96 63.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.388 1.875 . . . . 0.0 114.244 -174.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -58.03 104.5 0.2 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.725 0.81 . . . . 0.0 110.713 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.92 19.41 75.29 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 115.856 1.103 . . . . 0.0 115.856 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -78.26 -170.57 2.05 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.167 1.484 . . . . 0.0 112.965 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -129.86 110.48 11.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.953 1.701 . . . . 0.0 110.472 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mp -125.28 141.34 52.14 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.204 1.802 . . . . 0.0 109.552 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.2 t70 52.63 25.4 3.68 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.646 1.179 . . . . 0.0 113.628 -172.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.2 12.3 72.02 Favored Glycine 0 CA--C 1.538 1.495 0 O-C-N 120.74 -1.225 . . . . 0.0 114.574 -173.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -112.67 161.88 16.35 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 127.336 2.254 . . . . 0.0 109.755 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -67.94 148.9 50.46 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.703 0.401 . . . . 0.0 111.588 163.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.5 tt -129.42 147.31 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.793 1.237 . . . . 0.0 111.744 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.6 t -130.75 141.57 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.989 2.116 . . . . 0.0 108.313 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 m -124.52 150.37 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.113 1.365 . . . . 0.0 112.041 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -143.75 157.81 44.13 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.492 0.663 . . . . 0.0 111.049 154.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -59.38 142.03 53.18 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.642 0.777 . . . . 0.0 111.881 164.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.63 -25.82 65.93 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.284 -0.885 . . . . 0.0 113.082 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -56.68 -28.31 60.53 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.778 0.831 . . . . 0.0 112.196 173.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.1 m -68.73 -16.47 63.82 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.681 -1.262 . . . . 0.0 113.196 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -119.26 11.03 12.17 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.179 2.191 . . . . 0.0 112.585 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.03 133.86 52.52 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.447 1.022 . . . . 0.0 114.294 -166.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -66.45 144.08 56.72 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.363 1.065 . . . . 0.0 111.9 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.99 -10.52 33.03 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.877 1.227 . . . . 0.0 114.672 -172.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 C-N-CA 125.667 1.603 . . . . 0.0 113.601 -178.811 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 119.601 -0.238 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.96 93.02 2.95 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.435 1.094 . . . . 0.0 111.529 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.88 80.1 2.29 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.421 1.088 . . . . 0.0 110.411 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -61.97 168.07 3.44 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.856 1.262 . . . . 0.0 113.633 -175.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -62.05 -30.73 71.18 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.337 -1.477 . . . . 0.0 113.183 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.59 -10.92 85.33 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.049 1.309 . . . . 0.0 115.429 171.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -107.33 -167.2 1.23 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.071 1.748 . . . . 0.0 112.499 -172.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -137.85 149.82 46.62 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -80.32 103.02 9.9 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.413 1.485 . . . . 0.0 109.309 176.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.0 ttp-105 -143.41 138.0 29.04 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.159 1.384 . . . . 0.0 112.888 -175.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -139.54 154.25 47.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.811 1.244 . . . . 0.0 113.486 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -77.13 145.62 37.66 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.902 2.081 . . . . 0.0 111.733 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.45 109.14 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.597 1.559 . . . . 0.0 111.474 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.21 117.37 5.5 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 166.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.94 2.12 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 124.906 1.282 . . . . 0.0 114.332 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.6 mt -99.49 165.96 11.39 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.867 -1.146 . . . . 0.0 111.642 -170.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.3 p -125.97 -179.97 4.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 127.468 2.307 . . . . 0.0 109.217 166.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.6 p-90 -57.72 -15.41 7.85 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 167.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -93.63 -35.32 12.92 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.66 156.58 39.21 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.765 0.711 . . . . 0.0 110.75 174.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -147.46 -170.26 3.52 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 166.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.08 -24.28 64.47 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -73.22 -22.01 60.53 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.127 -0.983 . . . . 0.0 113.383 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.02 73.09 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-N 118.825 0.739 . . . . 0.0 112.214 168.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.96 -44.34 73.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.152 0.981 . . . . 0.0 112.559 168.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -56.39 -38.4 71.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.001 0.92 . . . . 0.0 111.438 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -51.05 26.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.327 0.651 . . . . 0.0 112.66 171.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.76 -31.01 66.08 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -98.0 -14.3 20.63 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.729 1.212 . . . . 0.0 113.929 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 m -63.36 -19.93 65.08 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -59.26 -33.79 71.47 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.645 1.178 . . . . 0.0 113.407 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -89.13 -29.44 19.35 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.24 -172.56 39.54 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 116.449 1.34 . . . . 0.0 116.449 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -72.57 126.11 29.09 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.543 1.137 . . . . 0.0 109.173 170.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.6 tp -109.58 146.0 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.461 1.104 . . . . 0.0 110.972 -166.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -109.52 -54.71 2.52 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.823 0.849 . . . . 0.0 111.569 -170.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.7 167.11 31.0 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.31 151.74 35.9 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.028 155.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.88 148.01 24.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.98 2.112 . . . . 0.0 109.551 173.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.6 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.65 1.18 . . . . 0.0 110.192 168.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 50' ' ' ARG . 9.9 tp -129.85 118.62 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.95 0.9 . . . . 0.0 112.967 171.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -158.61 148.0 19.19 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.932 2.093 . . . . 0.0 110.121 175.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -134.72 117.88 16.5 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.29 -0.881 . . . . 0.0 111.653 145.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -72.23 -33.15 67.35 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.678 0.672 . . . . 0.0 112.225 172.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.32 -52.1 65.02 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.869 0.867 . . . . 0.0 111.995 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.3 p -86.1 6.16 30.38 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 172.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.05 29.95 75.23 Favored Glycine 0 CA--C 1.536 1.397 0 O-C-N 121.01 -1.056 . . . . 0.0 115.237 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -110.97 71.63 0.75 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.678 1.991 . . . . 0.0 111.065 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 p -86.99 89.91 8.16 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.467 1.107 . . . . 0.0 111.006 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.497 ' HB2' HG23 ' A' ' 41' ' ' ILE . 9.2 mmm180 -70.17 -34.78 73.4 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.27 -0.894 . . . . 0.0 111.368 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.65 23.74 73.9 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 115.092 0.797 . . . . 0.0 115.092 169.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -136.51 171.34 14.63 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.714 1.606 . . . . 0.0 111.577 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.31 -178.64 28.07 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 124.769 1.176 . . . . 0.0 113.12 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -112.45 154.65 25.52 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.122 0.969 . . . . 0.0 109.191 159.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.9 p -135.26 145.8 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.104 1.362 . . . . 0.0 110.116 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -138.64 142.46 39.06 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.284 1.033 . . . . 0.0 113.597 -170.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -114.28 168.64 9.66 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.291 2.237 . . . . 0.0 112.059 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.6 p -99.15 -10.15 22.87 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 172.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -140.44 158.73 43.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.305 1.442 . . . . 0.0 114.193 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -71.67 -39.95 69.93 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.624 1.57 . . . . 0.0 112.157 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.15 -34.94 74.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.182 0.993 . . . . 0.0 112.565 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.47 -48.59 11.67 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.908 0.883 . . . . 0.0 111.944 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.8 tpt -46.33 -55.96 6.52 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.969 1.708 . . . . 0.0 112.711 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -84.74 -28.4 26.29 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.88 -31.18 64.52 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.866 -0.521 . . . . 0.0 111.647 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.62 -56.14 15.79 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.38 0.536 . . . . 0.0 110.662 170.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.8 mt -52.03 -49.49 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.237 1.015 . . . . 0.0 112.182 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -65.4 -18.28 65.19 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.43 -12.15 45.8 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.267 1.413 . . . . 0.0 115.058 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.7 mmt -86.92 -42.97 12.76 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.166 1.483 . . . . 0.0 114.539 -167.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -62.78 106.49 0.81 Allowed 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 118.938 0.79 . . . . 0.0 112.712 -161.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.88 -6.58 54.5 Favored Glycine 0 CA--C 1.539 1.584 0 N-CA-C 117.317 1.687 . . . . 0.0 117.317 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -63.53 155.54 29.11 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 120.708 2.254 . . . . 0.0 111.898 173.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -84.96 112.28 20.45 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.499 0.666 . . . . 0.0 111.941 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.26 126.52 45.27 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.445 1.498 . . . . 0.0 109.212 176.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.2 t70 48.86 32.73 3.9 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.528 1.931 . . . . 0.0 114.325 -162.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.4 70.2 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.63 1.109 . . . . 0.0 115.615 -176.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -105.58 149.2 26.49 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.306 1.842 . . . . 0.0 110.426 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.9 m -78.99 112.16 15.91 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tt -72.44 154.24 7.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 122.044 0.926 . . . . 0.0 112.312 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.1 t -126.14 130.52 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 125.267 1.427 . . . . 0.0 107.84 168.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 m -117.09 137.89 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.437 1.095 . . . . 0.0 111.916 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -153.89 153.79 32.71 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.906 0.882 . . . . 0.0 111.841 158.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.07 142.77 53.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.417 1.087 . . . . 0.0 113.867 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.28 0.96 4.15 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.737 1.215 . . . . 0.0 114.214 -175.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -55.57 -40.32 71.8 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.229 -0.92 . . . . 0.0 110.013 167.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.0 p -61.2 -27.09 68.17 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -79.86 -13.04 59.68 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -172.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -77.26 -151.05 4.22 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.95 0.786 . . . . 0.0 113.956 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -130.76 9.49 4.99 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.128 1.371 . . . . 0.0 113.834 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 152.86 -10.17 0.57 Allowed Glycine 0 CA--C 1.534 1.243 0 O-C-N 121.266 -0.896 . . . . 0.0 114.673 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 C-N-CA 127.165 2.316 . . . . 0.0 109.288 172.52 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.1 mtp . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 116.742 -1.599 . . . . 0.0 108.066 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.76 91.21 2.56 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.088 1.767 . . . . 0.0 111.207 166.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' A' ' 60' ' ' GLU . 1.6 mp0 -89.09 100.2 13.03 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.2 1.4 . . . . 0.0 113.023 -162.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.4 p -65.15 171.69 3.53 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 114.161 -1.381 . . . . 0.0 111.353 148.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -61.3 -21.92 64.4 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 120.887 -1.133 . . . . 0.0 113.564 173.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.31 -12.03 72.13 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.377 0.989 . . . . 0.0 114.494 174.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.26 166.29 16.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.346 1.458 . . . . 0.0 112.435 -176.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -139.98 132.51 28.68 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.868 1.267 . . . . 0.0 112.382 -177.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.88 85.08 7.18 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 122.267 1.032 . . . . 0.0 112.097 175.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -144.02 154.23 43.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.294 1.438 . . . . 0.0 111.35 165.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.4 p -126.02 152.71 45.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.55 0.69 . . . . 0.0 112.377 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -81.31 145.16 31.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.541 1.936 . . . . 0.0 110.168 170.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.79 145.67 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 126.433 1.893 . . . . 0.0 109.807 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.97 140.66 8.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 121.951 -0.468 . . . . 0.0 113.475 167.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.04 -16.1 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.354 2.662 . . . . 0.0 112.931 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 3.1 mt -74.96 166.72 23.2 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 122.475 1.131 . . . . 0.0 113.265 -158.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -144.69 179.43 7.31 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 128.849 2.859 . . . . 0.0 107.959 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 15.1 p90 -53.36 -15.11 0.89 Allowed 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -85.47 -38.53 18.51 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.578 1.151 . . . . 0.0 113.446 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.94 142.4 27.43 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.866 1.266 . . . . 0.0 112.91 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -148.07 -168.38 3.06 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -59.1 -20.13 50.74 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -56.05 26.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.351 1.06 . . . . 0.0 110.598 168.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.0 -41.89 94.99 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.482 1.039 . . . . 0.0 112.828 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.92 -45.16 94.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.487 1.144 . . . . 0.0 112.458 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.71 -47.67 83.78 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.694 -0.629 . . . . 0.0 111.488 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.02 72.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.035 0.534 . . . . 0.0 111.928 -175.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -28.54 68.96 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.347 -0.846 . . . . 0.0 113.259 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -90.44 -23.57 20.97 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 m -54.81 -26.43 34.8 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -57.07 -36.06 70.11 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.148 0.979 . . . . 0.0 113.071 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -88.9 -26.1 21.76 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.135 1.374 . . . . 0.0 112.912 -173.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.75 163.4 29.44 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 125.441 1.496 . . . . 0.0 110.761 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -68.93 133.04 47.66 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.226 1.013 . . . . 0.0 111.584 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 mm -93.6 133.24 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.093 1.357 . . . . 0.0 111.425 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.99 -26.9 14.86 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.479 1.112 . . . . 0.0 112.753 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -161.57 154.9 21.2 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.328 1.051 . . . . 0.0 111.264 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.05 150.72 35.63 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.042 1.337 . . . . 0.0 109.964 164.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -124.47 132.07 53.49 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.809 1.644 . . . . 0.0 111.406 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -102.33 140.63 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.751 1.22 . . . . 0.0 108.519 160.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.257 10.2 tp -121.44 130.71 74.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 CA-C-O 123.757 1.741 . . . . 0.0 112.83 168.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.5 p30 -155.82 167.01 31.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.708 2.403 . . . . 0.0 110.086 -177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -108.38 87.43 2.49 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.054 2.141 . . . . 0.0 109.518 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -67.64 -18.26 64.9 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.068 -1.02 . . . . 0.0 113.532 -172.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -65.98 -25.65 67.2 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.347 1.059 . . . . 0.0 112.906 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.6 p -124.53 -6.96 7.49 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.419 1.488 . . . . 0.0 114.709 173.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.28 11.84 84.92 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.286 1.422 . . . . 0.0 114.145 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -77.56 128.95 35.0 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.375 1.47 . . . . 0.0 110.604 -178.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 m -88.95 134.9 33.81 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.302 -0.874 . . . . 0.0 110.57 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -68.46 -41.79 79.7 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 119.513 1.052 . . . . 0.0 109.407 163.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.449 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 85.28 14.81 67.98 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.531 1.063 . . . . 0.0 114.435 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -118.13 169.71 9.46 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.555 1.942 . . . . 0.0 110.029 174.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.85 177.88 41.39 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.44 1.019 . . . . 0.0 113.791 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -114.27 158.21 21.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.715 1.206 . . . . 0.0 111.094 166.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.5 p -143.49 136.53 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.461 1.104 . . . . 0.0 110.733 167.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -121.83 129.05 52.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.296 1.438 . . . . 0.0 113.195 -166.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -93.1 -179.87 5.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.909 1.284 . . . . 0.0 113.486 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -105.51 -11.9 16.2 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.1 2.16 . . . . 0.0 114.488 173.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -152.46 159.38 43.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.823 1.649 . . . . 0.0 112.552 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' HG2' ' H ' ' A' ' 3' ' ' GLU . 1.7 mp0 -67.57 -43.97 79.35 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.097 1.359 . . . . 0.0 112.596 -176.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -74.37 -33.19 63.01 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.143 0.977 . . . . 0.0 112.516 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.17 76.46 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.887 0.767 . . . . 0.0 112.033 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.11 -45.31 91.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.604 0.762 . . . . 0.0 111.765 170.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -73.94 -43.09 59.43 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.802 -0.561 . . . . 0.0 112.51 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -60.58 -36.06 77.61 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.261 1.025 . . . . 0.0 111.627 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.53 -57.63 4.56 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.063 0.545 . . . . 0.0 111.748 173.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.3 mt -51.08 -44.37 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.827 1.251 . . . . 0.0 111.96 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -69.24 -19.64 63.94 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.899 -1.125 . . . . 0.0 113.651 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.9 -3.04 58.2 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 126.903 2.192 . . . . 0.0 115.491 172.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.4 mmt -103.41 -28.22 11.94 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.191 1.797 . . . . 0.0 113.5 -174.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -54.75 97.61 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.101 1.36 . . . . 0.0 114.102 -168.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.44 8.42 66.06 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -65.42 157.23 29.94 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.023 1.911 . . . . 0.0 113.296 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -90.92 112.02 23.7 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.79 0.836 . . . . 0.0 110.415 169.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.65 133.51 52.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.861 1.264 . . . . 0.0 107.979 165.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.5 t0 50.57 28.65 3.56 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -172.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.74 3.93 90.33 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.754 1.645 . . . . 0.0 115.363 -174.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -115.72 127.07 54.86 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.396 1.879 . . . . 0.0 111.029 -170.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.6 m -78.42 110.23 13.3 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.838 0.855 . . . . 0.0 112.987 -170.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.7 pt -80.89 159.23 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.541 1.536 . . . . 0.0 114.403 -168.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.34 135.39 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.077 1.351 . . . . 0.0 108.749 166.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -120.54 130.52 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.905 2.082 . . . . 0.0 112.515 -174.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -156.34 156.58 34.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.587 1.155 . . . . 0.0 112.48 169.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -59.11 153.2 18.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.47 8.99 10.81 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -73.49 -20.97 60.54 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.812 -1.18 . . . . 0.0 113.025 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.6 p -74.25 -19.7 60.41 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 165.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -92.27 -33.1 14.78 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.465 1.506 . . . . 0.0 112.931 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.99 178.61 43.19 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.038 1.304 . . . . 0.0 113.718 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.59 149.83 45.47 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.215 1.406 . . . . 0.0 113.087 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.31 152.9 9.62 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.434 1.016 . . . . 0.0 114.052 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.269 0 CA-C-O 117.01 -1.994 . . . . 0.0 114.97 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 117.599 -1.191 . . . . 0.0 108.497 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.92 85.41 2.1 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 121.86 2.118 . . . . 0.0 111.385 174.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -107.45 88.12 2.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.162 1.385 . . . . 0.0 110.333 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.2 m -88.51 -174.67 4.67 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.923 1.289 . . . . 0.0 112.846 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.47 -20.93 63.7 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.82 -25.34 56.32 Favored Glycine 0 CA--C 1.533 1.202 0 O-C-N 121.201 -0.937 . . . . 0.0 113.921 168.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.59 -167.48 1.76 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.562 1.545 . . . . 0.0 111.809 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.13 135.21 32.27 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.082 -1.011 . . . . 0.0 112.762 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -81.62 72.69 8.66 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 123.864 1.793 . . . . 0.0 108.569 164.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -145.99 133.88 21.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 129.671 3.189 . . . . 0.0 106.905 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -131.28 151.06 51.86 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.939 0.79 . . . . 0.0 113.101 -172.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -71.74 141.67 49.77 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.479 1.512 . . . . 0.0 109.856 165.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -132.42 99.16 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.305 1.442 . . . . 0.0 108.898 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.48 135.41 12.86 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.182 0.896 . . . . 0.0 111.199 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p 169.18 -35.43 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 126.744 2.018 . . . . 0.0 112.163 170.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.06 170.18 2.32 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 124.354 2.026 . . . . 0.0 114.355 -157.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.5 m -155.83 174.57 15.13 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.538 1.935 . . . . 0.0 108.414 -176.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -54.4 -25.96 27.65 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.748 1.158 . . . . 0.0 113.96 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -85.82 -21.64 28.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.222 2.209 . . . . 0.0 113.84 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.46 152.7 18.92 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.109 1.364 . . . . 0.0 112.356 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -148.82 -170.86 3.73 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 166.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.15 -28.48 64.75 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -176.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -65.55 -38.97 91.12 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.116 0.871 . . . . 0.0 112.025 -178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.22 -44.25 76.56 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.537 1.065 . . . . 0.0 112.962 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 pp -69.15 -39.82 78.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 117.945 0.873 . . . . 0.0 112.006 172.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.32 -45.26 76.34 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.742 1.155 . . . . 0.0 110.897 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.87 -31.21 72.33 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.1 -36.51 61.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.294 0.638 . . . . 0.0 112.269 174.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -83.11 -24.12 32.76 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.6 t -59.77 -23.09 62.98 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.8 p -76.5 -11.3 59.85 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.864 -1.148 . . . . 0.0 113.506 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -95.67 -24.57 16.49 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.807 1.243 . . . . 0.0 112.81 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.88 -177.03 47.08 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.628 1.011 . . . . 0.0 115.628 175.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -74.48 116.05 14.72 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.958 0.903 . . . . 0.0 110.795 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.5 mm -81.22 143.77 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.647 1.179 . . . . 0.0 112.229 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.45 -44.52 6.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.963 1.305 . . . . 0.0 111.941 169.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -146.28 149.47 33.93 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -173.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.53 128.18 21.6 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.919 1.287 . . . . 0.0 109.137 159.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -105.65 153.37 21.91 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.989 1.716 . . . . 0.0 109.72 173.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.07 141.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 125.335 1.454 . . . . 0.0 109.532 167.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 tp -125.22 117.87 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.847 0.859 . . . . 0.0 112.832 169.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -150.15 134.25 17.05 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.714 2.805 . . . . 0.0 106.94 163.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -79.88 100.97 8.29 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 122.22 2.282 . . . . 0.0 112.152 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -10.72 60.21 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 172.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.42 -54.33 6.03 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.775 0.83 . . . . 0.0 110.52 173.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 m -88.48 -5.88 57.97 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.336 1.454 . . . . 0.0 113.451 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.92 34.34 42.93 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 120.404 -1.435 . . . . 0.0 114.099 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -120.29 168.5 11.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.11 1.764 . . . . 0.0 111.546 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 p -141.84 130.95 23.29 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -81.76 -32.12 31.61 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.337 -0.852 . . . . 0.0 111.153 163.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.02 37.51 93.22 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.275 0.941 . . . . 0.0 114.186 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -150.21 176.0 11.26 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.977 1.311 . . . . 0.0 111.666 172.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.6 -173.89 30.8 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 125.527 1.537 . . . . 0.0 112.236 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -116.34 159.91 21.25 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.295 0.638 . . . . 0.0 112.443 161.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.08 145.1 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.627 1.571 . . . . 0.0 109.883 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 136.33 47.04 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 119.483 1.038 . . . . 0.0 112.519 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -103.08 158.05 16.57 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.549 1.539 . . . . 0.0 112.794 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m -75.95 -27.6 57.61 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.666 1.186 . . . . 0.0 112.859 170.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -136.89 151.78 49.47 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.89 -51.47 26.01 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.479 1.512 . . . . 0.0 113.621 -168.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -70.68 -26.17 63.31 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.287 -0.883 . . . . 0.0 112.399 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.61 74.15 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.827 1.651 . . . . 0.0 111.843 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.8 tpt -58.39 -41.75 85.56 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.442 0.697 . . . . 0.0 111.487 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -70.56 -43.74 68.87 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.464 0.705 . . . . 0.0 111.846 -178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -66.07 -28.68 69.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.973 0.509 . . . . 0.0 111.914 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.92 -53.85 16.04 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.547 0.739 . . . . 0.0 111.815 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.5 mt -50.52 -46.96 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.531 1.132 . . . . 0.0 110.984 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.56 -18.4 40.5 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.129 1.372 . . . . 0.0 114.099 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.01 0.94 27.07 Favored Glycine 0 CA--C 1.542 1.748 0 C-N-CA 126.186 1.85 . . . . 0.0 115.844 174.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.6 mmt -101.69 -33.94 9.67 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.308 1.554 . . . . 0.0 114.781 -170.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -53.5 113.54 1.2 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.481 0.713 . . . . 0.0 110.974 -173.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.97 6.24 89.08 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 117.722 -1.599 . . . . 0.0 116.772 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -58.82 143.89 45.95 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 120.135 1.967 . . . . 0.0 111.119 172.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -86.64 126.81 34.78 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.777 0.717 . . . . 0.0 111.562 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.43 135.68 27.01 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.556 1.942 . . . . 0.0 109.135 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t70 52.94 21.26 1.94 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -175.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.0 5.49 86.02 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.012 1.292 . . . . 0.0 115.344 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -120.36 163.33 18.02 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.724 2.41 . . . . 0.0 110.661 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.4 p -98.64 134.81 41.04 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.798 1.239 . . . . 0.0 112.342 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.5 mt -80.42 141.46 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.045 0.938 . . . . 0.0 112.315 -177.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.5 t -123.76 132.72 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.988 1.715 . . . . 0.0 109.342 165.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.01 137.54 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.015 1.326 . . . . 0.0 113.246 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -158.11 158.62 35.05 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.522 1.129 . . . . 0.0 111.248 162.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.4 150.81 25.36 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.416 0.686 . . . . 0.0 112.265 172.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.35 -3.9 42.94 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 -165.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -85.49 -31.78 22.6 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.339 1.427 . . . . 0.0 111.722 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.5 p -63.81 -34.82 78.77 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.062 1.745 . . . . 0.0 112.821 171.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.73 17.16 9.33 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.95 1.7 . . . . 0.0 112.353 166.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.38 177.61 50.34 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 120.776 -1.202 . . . . 0.0 113.574 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 60.42 171.11 0.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.984 1.714 . . . . 0.0 114.966 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.71 -161.18 33.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 121.25 -0.906 . . . . 0.0 113.456 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.25 0 CA-C-O 116.897 -2.057 . . . . 0.0 114.867 177.053 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.0 mtm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.99 95.26 10.03 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.245 1.384 . . . . 0.0 108.527 165.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -79.89 82.63 5.95 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 122.336 1.065 . . . . 0.0 111.537 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.7 m -49.59 161.94 0.19 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 128.537 2.735 . . . . 0.0 112.378 163.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.81 -28.68 64.26 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 119.921 -1.737 . . . . 0.0 114.986 -166.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.66 -12.76 56.55 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.879 1.228 . . . . 0.0 116.042 173.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.32 116.37 28.22 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.469 1.134 . . . . 0.0 111.987 -175.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -141.02 166.91 23.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.662 1.185 . . . . 0.0 112.388 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -81.97 78.7 8.64 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.439 -0.788 . . . . 0.0 110.911 -176.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -143.59 156.57 44.62 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 177.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.7 p -142.59 156.7 45.12 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.15 1.38 . . . . 0.0 112.632 -174.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -100.2 139.92 35.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.07 2.148 . . . . 0.0 110.791 174.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 m -135.4 139.28 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.68 1.592 . . . . 0.0 111.951 -173.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.27 124.92 6.23 Favored Glycine 0 N--CA 1.471 1.022 0 CA-C-O 118.846 -0.975 . . . . 0.0 110.902 167.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -171.42 -33.4 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.338 1.455 . . . . 0.0 113.873 -178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 24.8 mt -64.37 156.58 28.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.506 1.522 . . . . 0.0 112.848 -165.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.7 p -122.31 177.2 5.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.705 2.002 . . . . 0.0 109.88 172.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.4 p90 -51.5 -26.71 8.83 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 171.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -102.9 -8.97 20.27 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.58 150.15 26.11 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.154 1.343 . . . . 0.0 110.902 168.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -142.8 -168.29 2.73 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 165.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -55.16 -33.44 62.94 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.283 -0.886 . . . . 0.0 112.631 -176.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -55.85 -40.43 72.85 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.927 1.291 . . . . 0.0 112.197 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.82 -31.1 56.69 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.598 1.094 . . . . 0.0 113.791 -176.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.6 mt -68.46 -55.0 13.32 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 117.94 0.87 . . . . 0.0 109.672 165.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.03 -45.53 64.65 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.386 1.874 . . . . 0.0 111.802 -175.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.91 -24.02 59.63 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.57 -34.96 27.57 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.066 0.947 . . . . 0.0 112.442 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -84.37 -28.11 27.2 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.694 1.198 . . . . 0.0 113.703 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -59.59 -22.49 61.86 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.26 0.937 . . . . 0.0 112.981 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 m -68.8 -18.55 64.2 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.163 -0.961 . . . . 0.0 113.316 175.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -84.33 -40.52 17.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.127 -0.983 . . . . 0.0 111.926 174.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.86 -170.68 42.01 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.758 0.694 . . . . 0.0 113.794 174.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -61.97 116.47 4.92 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.805 0.842 . . . . 0.0 112.53 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.7 mm -86.13 136.8 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.489 1.116 . . . . 0.0 110.278 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -91.78 -45.22 8.53 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.885 0.874 . . . . 0.0 111.63 173.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.52 155.94 25.08 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.35 149.74 44.53 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.399 0.68 . . . . 0.0 110.642 163.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -104.91 137.28 42.91 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.174 1.39 . . . . 0.0 109.476 171.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.67 144.2 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 124.532 1.133 . . . . 0.0 109.273 158.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.285 10.6 tp -135.44 141.46 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -157.36 165.77 34.89 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 130.878 3.671 . . . . 0.0 107.943 174.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.55 126.44 30.78 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.378 -0.826 . . . . 0.0 110.548 167.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -24.7 59.59 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -78.03 -48.95 14.97 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.586 1.154 . . . . 0.0 112.458 -176.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.6 p -95.26 -12.0 26.97 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.69 -0.23 71.61 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.399 1.476 . . . . 0.0 114.152 -174.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 128.24 35.74 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.538 1.935 . . . . 0.0 112.599 -166.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.2 p -69.81 144.83 52.51 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -175.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -97.63 -39.26 9.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.088 0.955 . . . . 0.0 110.109 162.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 87.78 16.26 60.14 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.882 1.23 . . . . 0.0 115.034 169.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -134.9 166.92 21.88 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.001 1.32 . . . . 0.0 111.713 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.9 175.07 38.45 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.727 1.156 . . . . 0.0 113.217 -175.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -113.88 154.21 27.89 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.56 1.144 . . . . 0.0 110.191 168.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.2 t -139.57 131.85 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.266 1.426 . . . . 0.0 110.494 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.5 m -121.1 132.28 54.77 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.227 1.811 . . . . 0.0 113.035 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -108.95 159.58 16.7 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.06 2.144 . . . . 0.0 112.0 -176.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -84.37 -27.12 27.9 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -143.43 155.88 44.51 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.519 1.527 . . . . 0.0 111.127 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -72.61 -45.88 56.93 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -166.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -66.49 -26.03 66.98 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.0 -1.062 . . . . 0.0 112.983 -170.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.52 72.15 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.847 1.259 . . . . 0.0 112.618 170.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.7 ttp -60.83 -39.49 89.25 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.679 0.672 . . . . 0.0 111.147 172.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -69.84 -44.8 69.16 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.41 0.684 . . . . 0.0 112.208 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.33 -32.24 73.79 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.432 0.693 . . . . 0.0 111.482 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.85 -60.05 3.77 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.656 171.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.47 -39.63 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 O-C-N 120.797 -1.19 . . . . 0.0 112.79 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.3 -28.38 69.69 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.257 1.023 . . . . 0.0 112.929 174.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.32 -43.22 5.33 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.183 -0.948 . . . . 0.0 114.292 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.4 mmt -69.06 -28.0 66.14 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.078 1.751 . . . . 0.0 115.616 -161.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -55.75 92.23 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.831 1.252 . . . . 0.0 113.974 -171.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.77 8.11 58.4 Favored Glycine 0 CA--C 1.541 1.705 0 C-N-CA 126.418 1.961 . . . . 0.0 116.522 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -73.31 155.94 38.94 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.711 1.756 . . . . 0.0 114.946 -172.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -80.74 101.89 9.59 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.623 1.569 . . . . 0.0 110.919 164.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 tp -129.65 129.5 44.38 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.245 1.418 . . . . 0.0 110.92 -172.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.23 27.9 3.82 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.38 12.71 84.02 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.784 1.183 . . . . 0.0 114.842 -176.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -120.91 155.3 34.49 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.256 2.223 . . . . 0.0 112.035 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.7 p -78.7 111.38 14.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.217 0.607 . . . . 0.0 110.94 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.7 tt -98.1 140.11 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-O 122.171 0.986 . . . . 0.0 113.625 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 78.0 t -119.58 141.88 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.73 2.012 . . . . 0.0 108.318 172.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.53 141.77 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.934 1.294 . . . . 0.0 113.176 -176.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -152.43 157.14 40.78 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.758 0.823 . . . . 0.0 111.41 155.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.06 153.17 18.4 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.374 1.07 . . . . 0.0 112.915 172.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.38 21.77 7.19 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.365 1.466 . . . . 0.0 113.276 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -90.97 -24.22 20.19 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.713 1.205 . . . . 0.0 113.253 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.2 p -60.08 -15.49 23.62 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 170.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -68.48 -8.44 41.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.658 2.383 . . . . 0.0 113.946 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.36 151.91 51.51 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 123.729 0.68 . . . . 0.0 112.934 172.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -146.39 9.44 1.07 Allowed 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.73 -165.25 54.24 Favored Glycine 0 CA--C 1.536 1.346 0 O-C-N 120.686 -1.259 . . . . 0.0 114.701 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 C-N-CA 126.012 1.767 . . . . 0.0 113.156 171.074 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 mmt . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.03 93.99 2.99 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.853 0.861 . . . . 0.0 112.195 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -79.65 79.59 6.13 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 122.291 1.044 . . . . 0.0 112.35 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -97.91 170.22 9.1 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.631 1.572 . . . . 0.0 113.0 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -56.07 -25.14 44.09 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -166.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.86 -11.41 55.05 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.855 1.217 . . . . 0.0 115.236 177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.5 55.9 1.09 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.645 1.578 . . . . 0.0 111.91 -170.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -125.69 165.51 18.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.492 1.517 . . . . 0.0 113.069 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -90.6 76.03 6.58 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.254 -0.904 . . . . 0.0 111.788 -162.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.2 ttp-105 -136.94 140.71 42.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.403 1.481 . . . . 0.0 111.607 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -142.33 155.99 45.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.526 1.13 . . . . 0.0 113.879 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -81.95 149.69 28.07 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.654 2.781 . . . . 0.0 112.657 176.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.57 132.47 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.375 1.87 . . . . 0.0 112.28 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.29 121.1 2.9 Favored Glycine 0 CA--C 1.54 1.651 0 N-CA-C 115.365 0.906 . . . . 0.0 115.365 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.67 -21.09 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 127.748 2.419 . . . . 0.0 113.918 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 17.4 mt -75.58 163.39 27.4 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.982 1.313 . . . . 0.0 114.248 -148.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -106.04 171.08 7.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.291 1.836 . . . . 0.0 111.41 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -54.27 -14.29 1.12 Allowed 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.55 -1.343 . . . . 0.0 114.281 163.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -115.21 -20.46 10.38 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.37 138.53 38.58 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 120.69 1.586 . . . . 0.0 110.007 174.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -147.94 -170.01 3.47 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.38 -21.22 3.39 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.352 2.261 . . . . 0.0 115.287 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -81.91 -37.08 27.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.537 1.135 . . . . 0.0 113.599 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.8 -39.57 39.12 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.514 1.054 . . . . 0.0 112.272 173.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 mt -54.52 -51.39 65.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.563 0.745 . . . . 0.0 111.765 165.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.52 -42.03 70.39 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.667 0.787 . . . . 0.0 112.526 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.33 -43.17 82.24 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.292 0.951 . . . . 0.0 113.117 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.36 81.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.69 0.796 . . . . 0.0 112.092 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -74.38 -24.39 59.13 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.385 -0.822 . . . . 0.0 112.629 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.6 m -61.88 -18.01 58.63 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.225 -0.922 . . . . 0.0 113.3 173.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 t -57.83 -21.35 41.9 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.81 -1.181 . . . . 0.0 113.467 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.12 -33.67 10.69 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.69 -164.9 32.33 Favored Glycine 0 N--CA 1.475 1.238 0 CA-C-N 119.229 0.922 . . . . 0.0 113.121 -174.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -92.56 145.14 24.67 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.597 1.199 . . . . 0.0 112.963 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.4 mm -96.67 141.06 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.837 1.655 . . . . 0.0 111.969 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.3 mt -95.26 -42.71 8.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.964 1.306 . . . . 0.0 111.709 168.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -169.92 159.27 7.72 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.94 152.05 39.6 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.415 1.486 . . . . 0.0 112.063 173.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 60.4 tptt -118.83 145.11 45.92 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.241 1.816 . . . . 0.0 110.953 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.1 145.72 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 125.426 1.491 . . . . 0.0 108.988 161.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.6 tp -119.36 111.06 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 123.02 1.39 . . . . 0.0 112.133 163.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -154.44 96.71 1.94 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.601 1.96 . . . . 0.0 108.577 172.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -81.78 116.91 21.69 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.493 0.588 . . . . 0.0 111.142 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -77.54 -12.28 59.95 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 174.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -75.1 -59.33 2.79 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.03 0.832 . . . . 0.0 110.801 175.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.4 p -92.33 -7.32 48.23 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.1 25.72 47.49 Favored Glycine 0 N--CA 1.473 1.15 0 N-CA-C 115.934 1.134 . . . . 0.0 115.934 169.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -102.1 90.33 3.91 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.326 1.45 . . . . 0.0 111.555 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 m -78.18 100.01 6.45 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 163.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -79.15 -28.28 42.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.603 0.761 . . . . 0.0 112.441 -174.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 76.57 23.17 70.93 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.797 0.713 . . . . 0.0 114.876 171.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -141.51 172.38 12.76 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.563 1.145 . . . . 0.0 112.168 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.64 -177.54 41.39 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.547 1.07 . . . . 0.0 113.631 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.424 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 94.4 m-85 -116.1 158.95 22.41 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.142 1.377 . . . . 0.0 111.569 169.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -145.66 141.87 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.698 1.599 . . . . 0.0 110.641 172.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -133.57 137.57 45.58 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.534 1.534 . . . . 0.0 112.941 -167.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -114.38 153.8 29.2 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.254 1.821 . . . . 0.0 113.988 -172.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.8 p -74.85 -10.41 59.47 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -143.99 156.28 44.34 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.356 1.863 . . . . 0.0 113.034 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -76.65 -43.06 39.69 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.836 1.254 . . . . 0.0 113.323 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -69.88 -36.27 75.32 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.494 -0.754 . . . . 0.0 111.883 -172.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.21 86.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.809 0.843 . . . . 0.0 112.677 168.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 47.7 ttp -62.93 -43.04 99.87 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.643 0.656 . . . . 0.0 111.764 175.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -72.37 -42.22 65.51 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.538 -0.727 . . . . 0.0 112.108 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.59 -34.96 76.52 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.367 0.667 . . . . 0.0 111.724 172.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.69 -58.49 6.72 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.623 0.647 . . . . 0.0 110.781 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.4 mm -50.63 -41.79 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.656 1.183 . . . . 0.0 112.736 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.28 -15.59 63.34 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -114.1 -16.48 7.81 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.833 1.206 . . . . 0.0 115.555 170.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.522 ' HB3' HG11 ' A' ' 82' ' ' VAL . 11.8 mmt -77.39 -26.2 51.58 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -171.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -58.26 100.75 0.07 Allowed 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 120.481 1.491 . . . . 0.0 110.833 174.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.32 7.19 70.03 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.745 1.64 . . . . 0.0 117.061 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -70.74 141.23 51.5 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 120.949 2.374 . . . . 0.0 112.594 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.33 97.04 9.74 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -173.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mp -110.97 125.57 53.84 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.999 1.32 . . . . 0.0 111.301 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t0 48.57 36.54 7.69 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.268 1.427 . . . . 0.0 113.373 -170.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.98 0.53 89.01 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.027 1.775 . . . . 0.0 115.17 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -118.86 124.66 47.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.958 1.703 . . . . 0.0 111.816 -171.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.6 m -66.76 113.94 5.25 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.262 1.425 . . . . 0.0 110.871 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.0 tt -84.52 159.94 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 124.184 0.993 . . . . 0.0 113.547 -167.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -123.36 138.63 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.34 1.856 . . . . 0.0 108.22 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.522 HG11 ' HB3' ' A' ' 70' ' ' MET . 4.8 m -138.35 142.47 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -170.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -153.74 161.28 42.24 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.595 1.158 . . . . 0.0 111.186 161.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.94 153.79 20.36 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.852 -1.155 . . . . 0.0 113.392 174.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.78 22.26 6.34 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.748 1.619 . . . . 0.0 112.947 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -90.5 -34.43 15.57 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.577 1.151 . . . . 0.0 111.404 175.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.3 m -69.16 -16.9 63.74 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.953 1.301 . . . . 0.0 113.291 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -65.72 -32.31 73.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.825 1.65 . . . . 0.0 113.463 161.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.28 -149.4 49.93 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 123.919 0.771 . . . . 0.0 112.558 -165.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -135.43 -25.69 1.3 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 170.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.95 -162.7 23.94 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 125.394 1.473 . . . . 0.0 113.454 169.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.346 0 C-N-CA 125.524 1.535 . . . . 0.0 113.882 178.34 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtm . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 117.245 -1.36 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.7 89.75 2.87 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 120.569 1.531 . . . . 0.0 110.148 168.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -84.51 74.87 10.33 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.479 1.511 . . . . 0.0 113.341 -168.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.5 m -86.45 126.68 34.58 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.287 -0.883 . . . . 0.0 111.424 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -81.0 -70.16 0.55 Allowed 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.918 -1.114 . . . . 0.0 108.372 159.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.85 -30.6 4.79 Favored Glycine 0 CA--C 1.541 1.695 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 132.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.04 169.4 11.7 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.991 2.916 . . . . 0.0 111.156 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -125.98 154.14 43.32 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.247 1.419 . . . . 0.0 113.236 -173.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.48 80.52 3.48 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.83 1.652 . . . . 0.0 111.25 171.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.2 ttm105 -146.94 149.41 33.15 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.315 1.846 . . . . 0.0 111.825 -177.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.91 155.89 49.17 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.507 0.723 . . . . 0.0 112.907 170.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -76.35 149.86 36.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.54 1.936 . . . . 0.0 111.931 165.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.16 129.9 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.41 1.884 . . . . 0.0 110.488 172.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.36 122.32 5.01 Favored Glycine 0 N--CA 1.476 1.343 0 C-N-CA 123.695 0.664 . . . . 0.0 112.929 172.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 p -176.91 -24.46 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.185 1.794 . . . . 0.0 115.17 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 19.3 mt -66.33 167.41 10.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.503 1.521 . . . . 0.0 114.088 -161.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -143.67 177.6 8.39 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.589 1.556 . . . . 0.0 112.078 -163.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -50.65 -22.07 1.87 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 167.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -113.75 -19.76 11.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.601 1.561 . . . . 0.0 114.667 -173.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.17 153.76 20.27 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.596 1.158 . . . . 0.0 112.434 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.89 -173.42 3.98 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.141 0.976 . . . . 0.0 112.797 168.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -46.0 -35.74 5.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.861 1.264 . . . . 0.0 113.274 162.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -59.75 -31.52 69.72 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.614 1.165 . . . . 0.0 114.115 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.69 -32.14 28.05 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.46 1.029 . . . . 0.0 113.425 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.43 -42.9 87.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.829 0.851 . . . . 0.0 111.003 169.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -54.06 -49.99 67.75 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.925 1.69 . . . . 0.0 111.74 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.19 90.15 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.723 -0.611 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.98 -27.85 69.11 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -101.11 -20.65 15.25 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -174.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 m -57.13 -17.76 12.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 -167.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.8 p -84.63 -12.57 53.72 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 120.331 1.423 . . . . 0.0 114.751 175.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -86.72 -48.24 8.43 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.055 1.342 . . . . 0.0 110.134 169.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.39 150.99 20.33 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.353 0.977 . . . . 0.0 113.429 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -75.57 127.76 33.79 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.859 0.863 . . . . 0.0 111.103 173.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 mm -59.69 134.07 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -164.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 tt -87.03 -44.85 11.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.515 1.526 . . . . 0.0 110.036 168.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -161.04 148.91 15.63 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.856 1.262 . . . . 0.0 110.031 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.52 139.55 35.09 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.482 0.658 . . . . 0.0 111.651 159.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 11.8 tppt? -100.96 140.0 35.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.503 1.521 . . . . 0.0 108.632 176.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.71 134.6 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 124.044 0.938 . . . . 0.0 109.913 169.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.459 HG23 ' HB2' ' A' ' 50' ' ' ARG . 6.0 tp -113.89 117.09 54.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-O 122.6 1.19 . . . . 0.0 112.192 174.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -158.07 124.65 4.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.324 2.249 . . . . 0.0 110.176 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -96.1 93.69 7.1 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.186 0.903 . . . . 0.0 110.217 165.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -63.88 -29.29 70.49 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -173.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.95 -48.52 73.07 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.799 1.24 . . . . 0.0 111.835 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.6 p -96.7 -4.24 41.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.489 1.116 . . . . 0.0 112.852 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.02 20.86 77.2 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.604 1.097 . . . . 0.0 114.065 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -84.77 71.52 10.84 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 127.068 2.147 . . . . 0.0 110.936 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.89 104.26 9.4 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.883 0.873 . . . . 0.0 109.999 170.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.459 ' HB2' HG23 ' A' ' 41' ' ' ILE . 4.0 mmp_? -69.34 -25.68 64.32 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.261 1.025 . . . . 0.0 112.122 177.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 84.72 17.64 63.28 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 115.42 0.928 . . . . 0.0 115.42 163.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -140.32 168.61 19.39 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.231 -1.158 . . . . 0.0 112.294 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.36 -177.87 37.38 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.639 1.114 . . . . 0.0 114.22 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.414 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 34.9 m-85 -113.38 155.19 25.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.923 1.289 . . . . 0.0 110.901 165.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.65 144.5 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.29 1.436 . . . . 0.0 109.561 168.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.8 t -142.2 147.5 36.65 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.059 1.343 . . . . 0.0 113.188 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -130.69 154.91 47.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.56 1.944 . . . . 0.0 110.901 174.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.8 p -64.92 0.23 1.28 Allowed 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -136.92 147.03 46.15 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.841 1.2 . . . . 0.0 112.427 171.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -78.02 -38.85 43.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.214 1.406 . . . . 0.0 112.4 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -58.74 -50.74 72.81 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.014 0.926 . . . . 0.0 112.088 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -32.27 72.03 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.7 tpt -61.6 -41.55 97.59 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.727 0.694 . . . . 0.0 110.961 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -78.22 -33.52 49.83 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.883 0.873 . . . . 0.0 112.809 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.86 -33.63 70.67 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.894 0.878 . . . . 0.0 111.964 170.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.37 -49.65 21.81 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.778 0.831 . . . . 0.0 112.366 173.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 71.4 mt -50.2 -41.16 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 125.204 1.402 . . . . 0.0 111.833 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -57.64 -43.06 84.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.652 0.781 . . . . 0.0 112.747 177.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.43 -37.95 39.8 Favored Glycine 0 CA--C 1.537 1.462 0 O-C-N 121.777 -0.577 . . . . 0.0 113.948 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.1 mmt -62.98 -32.61 74.0 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.215 1.406 . . . . 0.0 113.782 -175.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -46.62 99.82 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.555 1.542 . . . . 0.0 112.736 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.67 20.41 79.62 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-O 118.177 -1.346 . . . . 0.0 115.942 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -81.38 156.82 25.25 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.856 1.828 . . . . 0.0 113.12 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.38 120.13 21.96 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.424 -0.798 . . . . 0.0 110.586 161.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.13 129.12 33.38 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.723 2.009 . . . . 0.0 109.256 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.3 t70 52.88 23.42 2.81 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.378 -0.826 . . . . 0.0 112.584 -163.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.91 -13.67 23.75 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 126.413 1.959 . . . . 0.0 115.685 -169.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -88.14 148.35 24.47 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.025 2.13 . . . . 0.0 110.869 -174.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.7 m -80.93 109.72 15.78 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.694 -0.629 . . . . 0.0 110.652 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.9 tt -90.0 152.9 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.048 0.939 . . . . 0.0 112.658 -173.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.0 t -131.43 139.98 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.838 1.655 . . . . 0.0 108.345 171.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.54 142.55 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.525 1.53 . . . . 0.0 112.496 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -149.95 152.98 35.84 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.365 0.603 . . . . 0.0 112.352 162.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.88 147.95 41.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.825 1.25 . . . . 0.0 113.359 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.94 -10.95 18.57 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -172.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -63.31 -25.47 68.32 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.779 -1.2 . . . . 0.0 112.868 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 p -52.15 -26.56 11.69 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 168.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -86.94 -16.69 35.14 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.091 1.356 . . . . 0.0 112.881 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -86.24 -50.04 4.0 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.331 1.443 . . . . 0.0 112.79 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.6 t80 55.1 23.13 5.01 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.745 1.618 . . . . 0.0 114.759 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.74 -152.6 51.65 Favored Glycine 0 CA--C 1.534 1.236 0 O-C-N 121.208 -0.932 . . . . 0.0 113.978 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.348 0 C-N-CA 125.564 1.554 . . . . 0.0 112.797 178.021 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ppp? . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.582 0.229 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.43 99.9 6.55 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.234 1.014 . . . . 0.0 111.998 -170.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -75.13 83.47 2.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.072 1.349 . . . . 0.0 110.328 166.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.7 m -66.6 165.86 13.91 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.258 1.423 . . . . 0.0 112.246 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -67.21 -18.3 65.19 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 119.55 -1.968 . . . . 0.0 113.796 -177.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.59 -18.96 69.51 Favored Glycine 0 CA--C 1.541 1.717 0 N-CA-C 115.759 1.064 . . . . 0.0 115.759 169.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.9 122.34 6.75 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.14 1.47 . . . . 0.0 113.971 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.12 151.53 49.09 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.399 1.48 . . . . 0.0 110.236 169.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -117.64 78.99 1.29 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.834 0.826 . . . . 0.0 111.71 -166.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.61 155.09 42.21 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 170.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.2 p -132.23 151.18 51.94 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.865 1.266 . . . . 0.0 112.099 176.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -77.49 143.54 38.4 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.024 1.33 . . . . 0.0 110.016 165.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 t -141.35 140.36 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.036 1.734 . . . . 0.0 109.328 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.61 127.18 1.92 Allowed Glycine 0 N--CA 1.472 1.083 0 O-C-N 120.645 -1.284 . . . . 0.0 114.661 168.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -166.44 3.48 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.997 2.119 . . . . 0.0 113.27 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HB2' ' HA2' ' A' ' 51' ' ' GLY . 6.5 mt -96.95 166.47 11.59 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 123.437 1.589 . . . . 0.0 112.899 -154.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -148.54 179.37 7.86 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.833 1.653 . . . . 0.0 110.359 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -46.02 -27.07 0.84 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 163.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.85 -40.52 22.34 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 120.038 1.29 . . . . 0.0 113.319 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.94 151.1 21.87 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.106 0.963 . . . . 0.0 112.776 -174.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -150.04 -169.8 3.47 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.2 -0.938 . . . . 0.0 113.055 169.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -52.38 -34.11 46.36 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.626 1.103 . . . . 0.0 113.319 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -61.56 -30.32 70.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.829 0.852 . . . . 0.0 112.367 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.32 -37.45 36.49 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 125.051 1.31 . . . . 0.0 113.575 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD21 HD21 ' A' ' 16' ' ' LEU . 2.7 mm? -71.02 -45.39 63.99 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.474 1.137 . . . . 0.0 111.231 171.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.94 -35.69 64.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.923 1.289 . . . . 0.0 111.304 176.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.12 -36.95 39.8 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.35 -26.08 59.92 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -95.67 -23.28 17.08 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.57 1.148 . . . . 0.0 113.595 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 p -65.06 -16.16 63.15 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 p -68.48 -16.77 64.01 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.808 -1.183 . . . . 0.0 114.069 169.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -96.6 -26.71 15.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.754 1.221 . . . . 0.0 114.101 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.05 -167.35 39.44 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 114.916 0.726 . . . . 0.0 114.916 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -94.98 118.78 32.39 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.281 1.433 . . . . 0.0 111.06 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.2 mm -70.74 144.39 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.712 1.205 . . . . 0.0 112.598 -171.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -99.76 -49.4 4.38 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.409 1.484 . . . . 0.0 111.179 168.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -155.02 152.37 29.56 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.574 1.15 . . . . 0.0 111.567 -175.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.58 119.56 9.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.39 1.476 . . . . 0.0 108.655 166.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -99.91 142.1 31.84 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.291 1.436 . . . . 0.0 109.517 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.52 139.41 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 125.303 1.441 . . . . 0.0 109.578 166.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.514 HG23 ' HB2' ' A' ' 50' ' ' ARG . 19.9 tt -126.94 139.15 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.2 p30 -155.54 170.71 21.35 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.312 2.645 . . . . 0.0 110.726 -175.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -131.52 100.21 5.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.317 1.847 . . . . 0.0 109.688 170.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -72.66 -12.62 61.11 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -172.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.84 -39.95 72.67 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.647 1.112 . . . . 0.0 110.989 172.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.0 p -96.85 -2.21 44.46 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.784 1.233 . . . . 0.0 112.913 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.83 14.36 67.61 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.305 1.431 . . . . 0.0 114.173 -178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -90.21 113.83 25.71 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.862 1.265 . . . . 0.0 111.231 -168.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 m -77.96 125.51 29.45 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.358 -0.838 . . . . 0.0 109.131 166.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.514 ' HB2' HG23 ' A' ' 41' ' ' ILE . 18.2 mtp180 -70.37 -33.8 71.86 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.227 0.921 . . . . 0.0 111.244 -177.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.459 ' HA2' ' HB2' ' A' ' 16' ' ' LEU . . . 91.7 14.94 56.01 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.783 1.182 . . . . 0.0 114.602 172.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -128.43 167.95 16.3 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.671 1.988 . . . . 0.0 111.388 -174.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.46 165.66 37.45 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.16 1.362 . . . . 0.0 113.144 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -113.91 133.43 55.46 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.073 0.949 . . . . 0.0 109.134 167.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.4 t -127.23 140.1 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.348 1.059 . . . . 0.0 110.555 -175.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.6 t -140.03 149.07 42.73 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.318 1.447 . . . . 0.0 112.479 -172.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.43 150.91 30.16 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.083 1.753 . . . . 0.0 110.766 -161.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.1 m -80.89 -7.83 59.58 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -162.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -142.43 154.4 44.55 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.178 1.354 . . . . 0.0 113.57 -174.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -73.0 -42.95 62.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.981 0.912 . . . . 0.0 113.318 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -63.44 -34.69 78.3 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.273 -0.892 . . . . 0.0 111.376 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.92 -47.87 78.83 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.665 0.786 . . . . 0.0 111.903 172.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.4 -45.94 84.0 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.606 0.762 . . . . 0.0 111.604 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -80.61 -35.56 33.91 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -169.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -72.86 -31.55 64.82 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.87 0.759 . . . . 0.0 111.327 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.04 -57.72 7.12 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.292 0.497 . . . . 0.0 110.865 171.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.4 mm -52.86 -40.15 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.205 1.002 . . . . 0.0 112.225 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -63.37 -23.89 67.61 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 173.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.39 -12.12 34.18 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 125.038 1.304 . . . . 0.0 115.966 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.9 mmt -95.31 -35.79 11.65 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.428 1.614 . . . . 0.0 114.956 -168.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -64.88 109.79 2.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.665 1.12 . . . . 0.0 110.97 -172.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.46 19.62 71.0 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 118.303 -1.276 . . . . 0.0 115.405 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -65.7 -172.85 0.13 Allowed 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.802 1.801 . . . . 0.0 111.436 169.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -114.02 140.88 48.08 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.117 -0.989 . . . . 0.0 109.871 154.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.66 135.4 26.34 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.716 0.807 . . . . 0.0 110.795 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.8 t70 48.36 26.46 1.12 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.617 1.167 . . . . 0.0 113.854 -169.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.34 13.99 79.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 126.091 1.805 . . . . 0.0 115.762 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -124.17 164.11 20.16 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 127.171 2.189 . . . . 0.0 110.886 -170.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.5 p -82.86 121.48 26.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.357 0.663 . . . . 0.0 111.735 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.9 tt -104.55 147.97 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.209 1.004 . . . . 0.0 113.157 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.9 t -126.25 144.95 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 126.814 2.046 . . . . 0.0 109.344 170.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.0 m -136.56 146.93 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.148 1.379 . . . . 0.0 112.184 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -155.83 162.07 40.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.492 0.717 . . . . 0.0 112.153 152.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -59.73 152.19 23.34 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.106 -0.996 . . . . 0.0 113.2 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.32 29.92 7.03 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.135 1.774 . . . . 0.0 112.241 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -97.7 -44.09 6.91 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.968 1.707 . . . . 0.0 112.755 178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.6 m -64.28 -42.1 96.59 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.585 1.084 . . . . 0.0 112.564 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -81.09 -40.37 24.2 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.267 1.827 . . . . 0.0 112.195 174.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.91 -177.05 39.03 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.048 0.833 . . . . 0.0 114.779 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -87.66 150.89 23.36 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.749 1.62 . . . . 0.0 112.135 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.63 -142.94 3.52 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.619 1.104 . . . . 0.0 113.595 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.245 0 CA-C-O 117.174 -1.904 . . . . 0.0 114.45 -177.817 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 119.409 -0.329 . . . . 0.0 110.505 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.97 91.82 3.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.98 0.912 . . . . 0.0 112.002 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.16 87.91 6.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.928 1.691 . . . . 0.0 109.136 171.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -72.48 -179.23 2.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.38 1.472 . . . . 0.0 114.509 -170.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -67.27 -20.56 65.67 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.522 -1.361 . . . . 0.0 111.118 169.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.07 -55.88 7.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 121.443 -0.786 . . . . 0.0 112.212 164.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.42 51.48 2.24 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.489 1.116 . . . . 0.0 112.684 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -92.22 161.19 14.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.09 1.756 . . . . 0.0 113.339 -173.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -78.25 79.71 4.69 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.855 -1.153 . . . . 0.0 110.991 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -144.9 145.25 31.49 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.313 2.245 . . . . 0.0 111.87 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.26 159.56 41.86 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.514 1.126 . . . . 0.0 113.579 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -79.33 150.73 31.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.202 1.801 . . . . 0.0 111.862 170.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.6 m -138.08 115.78 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.645 1.578 . . . . 0.0 110.844 170.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.94 123.2 7.37 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.211 0.91 . . . . 0.0 111.694 172.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 176.22 -27.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.544 1.537 . . . . 0.0 114.6 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.69 165.99 18.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 122.334 1.064 . . . . 0.0 113.455 -156.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.9 p -151.48 177.57 10.17 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.922 1.289 . . . . 0.0 111.005 -167.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -50.04 -20.57 0.99 Allowed 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 162.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -102.97 -36.07 8.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.132 1.773 . . . . 0.0 114.22 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.58 147.15 24.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.181 0.992 . . . . 0.0 111.517 -174.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.79 -174.55 4.65 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.0 -35.05 77.38 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.507 -0.746 . . . . 0.0 112.923 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -61.79 -46.6 88.83 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.362 1.065 . . . . 0.0 112.881 -176.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.89 -40.93 84.28 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 118.303 0.501 . . . . 0.0 113.065 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.27 -42.33 75.68 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.48 0.712 . . . . 0.0 112.218 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -57.19 -41.75 79.93 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.549 1.14 . . . . 0.0 111.693 173.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.41 78.49 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.27 72.47 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -72.49 -33.31 66.86 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.079 -1.013 . . . . 0.0 111.401 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -57.89 -20.9 40.36 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 174.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -66.77 -25.37 66.45 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 173.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -87.99 -36.08 17.25 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.214 0.915 . . . . 0.0 113.232 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.67 -161.19 29.04 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 123.797 0.713 . . . . 0.0 113.292 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.18 129.07 35.47 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -171.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.4 tp -107.93 149.5 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.573 . . . . 0.0 112.892 -165.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tt -117.16 -60.71 1.8 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.183 0.993 . . . . 0.0 113.369 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.75 161.49 38.48 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.072 -1.642 . . . . 0.0 113.109 -177.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -137.49 148.15 45.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 122.88 0.472 . . . . 0.0 111.903 162.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -106.27 136.5 45.88 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.739 2.016 . . . . 0.0 110.555 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -110.24 138.57 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.152 1.381 . . . . 0.0 109.547 166.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.0 tp -120.15 110.14 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 122.15 0.976 . . . . 0.0 113.386 166.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -150.42 119.77 6.86 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.846 1.259 . . . . 0.0 111.328 163.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -90.17 126.92 35.98 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.191 -0.943 . . . . 0.0 112.67 173.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -17.48 53.89 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 168.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -84.46 -57.18 3.25 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.093 1.357 . . . . 0.0 111.898 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.2 p -91.92 -1.01 57.5 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.767 1.227 . . . . 0.0 112.651 174.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.23 -7.08 61.46 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 126.068 1.794 . . . . 0.0 116.522 170.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -66.6 96.67 0.4 Allowed 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 120.203 2.001 . . . . 0.0 114.06 -174.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -84.59 83.72 7.92 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.583 1.553 . . . . 0.0 109.793 167.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -68.04 -32.04 72.11 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.826 1.25 . . . . 0.0 113.302 -170.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.92 32.61 60.74 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 167.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -138.62 169.82 17.11 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.929 1.291 . . . . 0.0 110.611 168.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.82 167.84 28.75 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.241 0.925 . . . . 0.0 112.63 173.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -113.69 137.73 51.21 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.197 0.999 . . . . 0.0 109.833 166.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -129.34 143.7 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.467 1.507 . . . . 0.0 111.569 -175.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m -132.79 142.05 48.8 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.531 1.532 . . . . 0.0 111.611 -164.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -143.65 152.84 41.86 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.279 1.432 . . . . 0.0 110.65 -168.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.1 m -96.0 -17.8 20.72 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -169.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -122.46 152.7 40.01 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 122.574 1.178 . . . . 0.0 113.418 -170.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -82.4 -39.17 23.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.368 1.467 . . . . 0.0 113.981 -166.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -66.63 -38.34 86.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.546 0.612 . . . . 0.0 111.017 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.09 74.4 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.607 0.763 . . . . 0.0 112.262 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.3 ttt -62.42 -30.43 71.22 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -85.17 -52.79 5.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.501 1.046 . . . . 0.0 112.71 171.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -54.96 -39.78 69.29 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.816 0.846 . . . . 0.0 112.409 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.04 -56.94 5.09 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 123.56 0.744 . . . . 0.0 111.941 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.6 mm -57.58 -37.44 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.339 1.427 . . . . 0.0 112.227 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -70.05 -38.42 75.82 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.39 -32.64 24.78 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.787 1.184 . . . . 0.0 115.249 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -39.61 94.85 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.026 2.13 . . . . 0.0 111.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -47.56 106.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.241 1.016 . . . . 0.0 113.221 -173.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.82 18.79 74.47 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 118.5 -1.166 . . . . 0.0 115.408 173.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -74.17 140.52 45.21 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.049 1.924 . . . . 0.0 112.496 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -84.72 114.68 22.22 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.034 1.334 . . . . 0.0 110.017 173.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.2 tp -149.1 133.11 17.17 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.454 1.102 . . . . 0.0 110.697 -166.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 51.33 20.3 0.93 Allowed 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -169.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.86 15.58 81.03 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.003 -1.685 . . . . 0.0 114.477 -170.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -112.05 178.96 4.14 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.898 2.879 . . . . 0.0 109.136 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.8 m -119.08 112.11 19.13 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.134 0.574 . . . . 0.0 110.017 166.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.3 pt -76.19 126.8 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 122.243 1.02 . . . . 0.0 111.663 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.6 t -122.33 130.31 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 125.635 1.574 . . . . 0.0 108.651 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.4 m -121.72 140.85 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.373 1.069 . . . . 0.0 113.695 -168.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -156.23 166.71 32.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.387 1.475 . . . . 0.0 111.677 157.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -59.75 154.19 18.75 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.869 1.668 . . . . 0.0 114.277 176.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.68 10.11 12.36 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.44 -12.97 60.0 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -171.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.9 m -74.15 -15.56 61.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.831 1.252 . . . . 0.0 113.704 171.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -95.52 -6.37 40.65 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -162.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -74.96 -179.57 43.38 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.83 1.681 . . . . 0.0 115.587 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -143.02 138.14 29.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.292 2.237 . . . . 0.0 112.434 -173.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.79 -21.78 13.77 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.399 1.476 . . . . 0.0 116.526 168.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.257 0 CA-C-O 117.481 -1.733 . . . . 0.0 114.0 176.522 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.07 111.41 8.0 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.205 1.802 . . . . 0.0 111.13 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -107.18 84.4 1.97 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.516 1.526 . . . . 0.0 111.832 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m -65.37 176.87 1.25 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.631 0.772 . . . . 0.0 111.104 166.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -53.13 -30.24 35.7 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -171.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.66 -12.66 77.99 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 126.284 1.897 . . . . 0.0 115.685 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.97 154.29 43.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.704 1.602 . . . . 0.0 113.04 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -141.26 165.85 26.4 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.427 1.491 . . . . 0.0 113.423 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -80.51 79.89 7.04 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.796 -1.19 . . . . 0.0 111.041 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -139.98 136.71 34.05 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.737 1.615 . . . . 0.0 111.222 -173.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 p -147.68 156.94 43.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.752 0.821 . . . . 0.0 112.92 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -75.64 146.83 39.99 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.808 1.643 . . . . 0.0 111.907 171.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.63 109.55 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.902 1.681 . . . . 0.0 110.408 172.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.03 121.66 6.99 Favored Glycine 0 N--CA 1.471 1.031 0 CA-C-O 119.247 -0.752 . . . . 0.0 112.432 174.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.9 p -178.8 -20.59 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.23 1.812 . . . . 0.0 113.95 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 mt -64.76 166.8 8.33 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 122.509 1.147 . . . . 0.0 112.613 -165.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -132.47 167.34 20.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.959 2.104 . . . . 0.0 109.308 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -50.65 -5.42 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -128.01 -6.95 5.48 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.563 1.545 . . . . 0.0 114.876 169.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.78 145.05 29.75 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.541 1.518 . . . . 0.0 109.187 172.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.21 -168.75 3.19 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 173.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -58.07 -20.04 36.49 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -61.07 -47.61 85.55 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.501 1.12 . . . . 0.0 111.61 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.8 -44.1 48.7 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 123.528 0.585 . . . . 0.0 112.553 -178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.7 mt -54.28 -48.38 71.3 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.462 0.705 . . . . 0.0 112.226 172.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -53.1 -43.0 66.5 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.988 0.915 . . . . 0.0 112.302 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.03 -35.37 56.99 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.5 -39.16 74.31 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.332 0.515 . . . . 0.0 111.802 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -79.98 -26.3 40.01 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.6 m -55.59 -25.06 36.37 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 171.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 m -66.93 -26.66 66.96 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -90.72 -23.65 20.64 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 175.6 -148.35 9.35 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.391 0.996 . . . . 0.0 113.159 174.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.29 107.7 19.31 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.699 -0.883 . . . . 0.0 112.151 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 tp -68.53 143.85 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.147 1.379 . . . . 0.0 111.869 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.2 tp -116.82 -41.25 3.06 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.469 1.108 . . . . 0.0 113.697 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -157.6 158.61 35.88 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.925 -1.109 . . . . 0.0 111.956 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.18 151.86 36.27 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 144.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -113.97 138.26 50.59 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.99 2.516 . . . . 0.0 111.653 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -106.83 133.43 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.934 1.294 . . . . 0.0 110.254 165.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . 0.329 11.4 tp -124.58 132.4 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-O 123.537 1.637 . . . . 0.0 114.673 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -161.06 171.51 18.48 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.718 2.407 . . . . 0.0 112.162 -164.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -128.16 89.43 2.92 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.389 1.076 . . . . 0.0 109.508 157.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -65.43 -25.7 67.64 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.387 -0.821 . . . . 0.0 112.479 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -56.79 -54.18 49.33 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.913 1.285 . . . . 0.0 111.974 168.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 m -82.86 8.27 12.91 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.647 1.179 . . . . 0.0 112.146 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.03 23.47 67.78 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 120.478 -1.389 . . . . 0.0 115.63 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -113.16 154.37 26.77 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.964 1.882 . . . . 0.0 113.268 -174.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -114.88 140.24 49.14 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.128 1.371 . . . . 0.0 110.015 167.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -69.07 -34.89 75.87 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 165.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.14 77.48 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.259 0.933 . . . . 0.0 113.092 174.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -132.1 174.94 9.68 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.048 1.739 . . . . 0.0 109.059 169.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.17 -177.27 28.28 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 124.087 0.851 . . . . 0.0 112.098 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -110.1 148.11 32.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.811 0.844 . . . . 0.0 108.788 167.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.08 137.89 48.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 124.225 1.01 . . . . 0.0 109.86 171.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 m -129.22 144.2 51.13 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.047 0.939 . . . . 0.0 112.596 -172.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -113.43 161.25 17.54 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.838 1.655 . . . . 0.0 111.88 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.1 p -115.8 8.45 14.84 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 169.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -130.48 141.22 50.51 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.52 1.128 . . . . 0.0 111.024 166.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.86 -53.87 47.55 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.527 1.531 . . . . 0.0 114.035 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.59 -32.37 71.08 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.238 -0.914 . . . . 0.0 112.262 -176.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -35.15 73.88 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.347 0.659 . . . . 0.0 112.645 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.1 ttt -60.69 -45.18 95.16 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.162 0.585 . . . . 0.0 111.56 173.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -81.02 -33.06 33.87 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.718 -0.613 . . . . 0.0 112.625 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -67.63 -33.6 75.3 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.311 -0.868 . . . . 0.0 111.278 173.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.24 -60.41 2.48 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.98 0.512 . . . . 0.0 111.291 168.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.68 -34.59 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -172.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -74.11 -25.76 59.97 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.749 1.613 . . . . 0.0 113.443 173.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -89.57 -22.54 36.59 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.875 1.226 . . . . 0.0 115.486 174.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.7 mmt -77.53 -37.03 51.78 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.92 1.688 . . . . 0.0 113.355 -174.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -68.82 107.17 2.95 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.798 0.808 . . . . 0.0 112.521 -162.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.11 7.68 73.23 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.504 1.526 . . . . 0.0 115.377 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -68.3 154.9 40.84 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.979 1.889 . . . . 0.0 111.314 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.12 129.59 38.41 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.794 -0.566 . . . . 0.0 111.625 156.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.18 127.7 23.04 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.877 2.071 . . . . 0.0 107.529 170.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.1 t70 54.76 22.19 4.01 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -165.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.73 -3.36 64.4 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.943 2.211 . . . . 0.0 115.555 -172.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -98.34 146.11 26.01 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.327 2.251 . . . . 0.0 110.674 -177.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 t -76.16 117.56 17.99 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.039 0.536 . . . . 0.0 110.025 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.5 tt -97.41 145.91 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.096 0.958 . . . . 0.0 112.981 -174.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.6 t -127.95 136.74 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.76 1.224 . . . . 0.0 108.871 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.7 m -122.72 130.12 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.246 1.018 . . . . 0.0 112.069 -172.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -151.71 148.8 28.35 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.87 0.868 . . . . 0.0 112.531 176.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.37 142.8 51.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.676 1.591 . . . . 0.0 113.715 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.65 -4.75 15.24 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -58.01 -28.45 64.46 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.335 1.454 . . . . 0.0 112.312 -177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.8 p -77.07 -15.11 59.7 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -122.35 -42.1 2.37 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 -173.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.12 162.87 35.09 Favored Glycine 0 N--CA 1.475 1.248 0 CA-C-N 120.267 1.394 . . . . 0.0 116.071 -169.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -143.26 170.69 15.28 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.759 1.224 . . . . 0.0 113.116 -160.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.26 -3.28 61.02 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 124.188 0.899 . . . . 0.0 114.312 164.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.027 1.775 . . . . 0.0 112.103 170.627 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.76 86.79 5.91 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.527 1.512 . . . . 0.0 110.052 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -62.57 93.63 0.05 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.708 1.603 . . . . 0.0 112.0 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.3 p -60.17 160.78 7.78 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.85 168.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.44 3.02 5.25 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -173.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.4 -29.99 61.11 Favored Glycine 0 CA--C 1.541 1.7 0 O-C-N 120.211 -1.555 . . . . 0.0 112.62 158.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.52 -167.06 1.44 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.551 2.74 . . . . 0.0 111.811 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -134.91 104.03 5.82 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -168.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -91.43 74.87 6.02 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 123.03 1.395 . . . . 0.0 109.47 165.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 ttm105 -143.81 144.41 31.77 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 128.303 2.641 . . . . 0.0 107.666 174.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -139.16 149.35 44.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -176.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -77.9 144.4 36.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.918 1.687 . . . . 0.0 110.541 171.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.03 113.76 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.68 1.592 . . . . 0.0 110.472 -177.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.3 128.21 9.39 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.395 0.997 . . . . 0.0 110.933 169.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 m -174.76 -35.94 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.8 1.64 . . . . 0.0 113.066 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 mt -71.02 165.05 24.31 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 122.863 1.316 . . . . 0.0 113.368 -152.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.0 p -154.19 179.51 8.89 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 125.418 1.487 . . . . 0.0 109.605 -168.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -46.33 -36.08 5.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 167.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -92.51 -23.18 19.19 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -175.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.29 150.64 21.84 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.223 1.009 . . . . 0.0 112.722 -175.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -149.91 -177.92 6.18 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -60.67 -35.32 75.96 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.357 -0.839 . . . . 0.0 112.751 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -24.99 63.72 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.468 -0.77 . . . . 0.0 112.508 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.78 -41.71 41.29 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.044 0.831 . . . . 0.0 113.187 174.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.9 mt -59.51 -47.37 85.78 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.745 0.818 . . . . 0.0 111.513 168.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.09 -48.47 81.6 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.798 -0.564 . . . . 0.0 112.192 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.51 -23.74 62.71 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.68 80.11 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.382 -0.824 . . . . 0.0 111.914 169.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.6 -3.72 23.46 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 117.236 2.31 . . . . 0.0 117.236 -169.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.5 p -57.84 -16.67 12.42 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.925 2.195 . . . . 0.0 116.925 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -88.86 -13.54 39.0 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 120.589 -1.32 . . . . 0.0 114.402 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -75.12 -31.08 61.02 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.546 -1.346 . . . . 0.0 111.089 168.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.64 169.98 38.65 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.966 1.269 . . . . 0.0 113.023 168.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.07 145.64 56.04 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.252 1.021 . . . . 0.0 111.725 172.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.7 tp -99.91 145.64 10.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 125.252 1.421 . . . . 0.0 112.192 -169.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 tp -106.42 -42.92 4.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.246 1.418 . . . . 0.0 112.677 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.19 163.22 13.18 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.941 1.696 . . . . 0.0 111.644 172.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.46 148.59 39.75 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.695 -0.628 . . . . 0.0 110.955 161.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.539 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 44.1 tptt -104.83 138.18 41.48 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.497 2.319 . . . . 0.0 109.712 176.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.35 139.33 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.045 1.338 . . . . 0.0 109.277 165.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 50' ' ' ARG 0.252 10.8 tp -132.55 140.97 46.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-O 123.242 1.496 . . . . 0.0 114.932 179.59 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -157.1 163.66 38.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.958 2.903 . . . . 0.0 109.769 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.11 127.11 29.82 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.994 0.918 . . . . 0.0 111.432 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -68.46 -25.41 64.98 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -80.47 -47.3 14.52 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.0 p -122.33 -2.84 8.98 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -168.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.76 2.52 56.96 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 120.865 -1.147 . . . . 0.0 114.756 -175.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -52.57 115.99 2.06 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.412 1.485 . . . . 0.0 110.616 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.8 m -70.28 139.65 52.17 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.701 0.8 . . . . 0.0 111.419 -169.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.481 ' HB2' HG23 ' A' ' 41' ' ' ILE . 25.2 mmm180 -79.79 -39.63 30.44 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.294 -0.879 . . . . 0.0 109.747 164.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.09 19.12 47.89 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.534 1.064 . . . . 0.0 114.494 170.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -146.02 175.16 10.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.751 1.22 . . . . 0.0 111.064 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.82 -161.91 25.4 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.153 0.882 . . . . 0.0 112.348 168.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.539 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 60.7 m-85 -112.97 156.33 23.21 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.424 1.49 . . . . 0.0 111.261 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.0 p -141.91 144.08 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.809 1.243 . . . . 0.0 110.981 173.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -133.77 122.98 24.08 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.516 1.526 . . . . 0.0 110.62 -167.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -91.57 164.01 13.93 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.705 0.802 . . . . 0.0 110.786 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.9 p -93.15 -6.23 48.36 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -137.45 154.54 49.9 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.453 1.501 . . . . 0.0 112.99 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -77.93 -50.71 11.65 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.633 1.173 . . . . 0.0 113.683 -167.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.35 -36.2 77.43 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.59 0.756 . . . . 0.0 111.709 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.26 97.37 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.905 1.282 . . . . 0.0 112.206 175.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.29 -41.49 96.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.075 0.55 . . . . 0.0 112.245 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -75.98 -31.38 58.95 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.312 -0.868 . . . . 0.0 113.112 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -73.73 -29.66 62.37 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.9 0.773 . . . . 0.0 111.48 170.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.65 71.78 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.534 171.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.6 mm -59.36 -48.4 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 120.402 1.456 . . . . 0.0 111.352 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.56 -30.54 63.25 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.858 0.863 . . . . 0.0 112.834 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.66 -26.49 27.14 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.049 1.309 . . . . 0.0 115.55 176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -45.92 61.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.98 1.89 . . . . 0.0 113.434 -168.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -58.38 109.91 0.87 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -159.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.45 9.63 75.32 Favored Glycine 0 CA--C 1.536 1.397 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -63.58 157.47 23.69 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 120.388 2.094 . . . . 0.0 111.756 169.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.43 105.27 15.33 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.708 1.203 . . . . 0.0 112.064 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -119.4 134.06 55.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.964 1.706 . . . . 0.0 109.393 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.0 t70 54.02 20.6 2.52 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.798 1.181 . . . . 0.0 113.02 -164.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.49 3.99 50.13 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 119.694 -1.879 . . . . 0.0 115.052 -167.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -92.74 138.64 31.31 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.581 1.952 . . . . 0.0 109.741 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.7 m -81.59 127.29 32.71 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.716 -0.615 . . . . 0.0 111.415 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.3 tt -89.83 146.08 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -174.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.41 136.94 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.826 2.051 . . . . 0.0 108.932 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.4 m -132.14 148.03 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -171.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -161.71 158.86 26.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.103 1.361 . . . . 0.0 110.9 150.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.26 152.35 25.11 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 121.109 -0.994 . . . . 0.0 112.548 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.28 4.97 31.6 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -161.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -63.6 -28.35 69.86 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.252 1.387 . . . . 0.0 114.473 -165.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.4 m -86.62 -37.98 17.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.776 0.83 . . . . 0.0 113.107 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -65.22 -41.82 94.06 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.236 -0.915 . . . . 0.0 111.213 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.04 14.91 57.75 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.875 1.226 . . . . 0.0 115.929 175.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -66.3 147.94 52.59 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 118.737 1.269 . . . . 0.0 111.255 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.64 160.14 41.35 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 115.94 1.136 . . . . 0.0 115.94 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.417 0 C-N-CA 126.146 1.831 . . . . 0.0 112.717 177.577 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.542 0.21 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.15 116.16 15.08 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.835 0.854 . . . . 0.0 111.558 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -65.23 89.9 0.09 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.653 1.581 . . . . 0.0 110.657 168.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -74.06 -174.61 1.94 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.202 1.801 . . . . 0.0 112.564 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -16.42 31.01 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -171.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.46 -11.46 64.25 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 125.862 1.696 . . . . 0.0 115.7 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -111.25 166.1 11.38 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.55 1.54 . . . . 0.0 113.63 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -127.84 162.15 27.35 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.249 1.42 . . . . 0.0 113.034 176.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -97.43 77.57 2.63 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.093 -1.004 . . . . 0.0 110.63 -168.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.5 ttp85 -138.81 133.65 32.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.942 1.297 . . . . 0.0 112.627 -172.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.9 p -148.54 155.71 41.48 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.755 1.222 . . . . 0.0 113.833 -170.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -82.9 144.89 29.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.771 2.428 . . . . 0.0 112.419 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.3 t -137.86 110.2 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.065 1.746 . . . . 0.0 109.3 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.82 119.33 5.57 Favored Glycine 0 N--CA 1.473 1.122 0 CA-C-O 118.833 -0.982 . . . . 0.0 112.023 170.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.87 -4.52 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.737 1.615 . . . . 0.0 114.357 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 mt -78.6 166.9 22.01 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.568 -1.332 . . . . 0.0 111.486 -168.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -133.67 172.77 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 126.65 1.98 . . . . 0.0 108.87 175.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -56.78 -21.35 27.97 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -167.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -109.42 -12.95 14.67 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.037 1.735 . . . . 0.0 113.096 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.18 145.63 44.05 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 120.6 1.546 . . . . 0.0 110.565 169.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -146.85 -173.92 4.35 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.0 -31.46 65.11 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -59.0 -34.38 71.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.132 0.878 . . . . 0.0 112.143 173.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.05 -48.81 14.52 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 125.124 1.345 . . . . 0.0 113.176 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.81 -35.54 80.29 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.264 1.032 . . . . 0.0 112.309 172.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.67 -39.05 83.22 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.02 -1.05 . . . . 0.0 111.47 172.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.67 48.36 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.6 -41.32 75.89 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.564 -0.71 . . . . 0.0 111.107 168.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -103.73 -14.45 16.09 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 -168.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 m -60.48 -20.55 60.42 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.684 1.583 . . . . 0.0 113.819 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 p -72.02 -17.89 62.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 174.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -84.46 -34.2 23.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.696 1.199 . . . . 0.0 111.895 174.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.87 -177.1 48.37 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.389 0.995 . . . . 0.0 112.866 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -81.17 119.39 23.53 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.268 1.027 . . . . 0.0 111.129 -174.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.9 mm -77.63 136.3 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.396 1.078 . . . . 0.0 111.54 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 mp -97.12 -45.67 6.46 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.547 1.539 . . . . 0.0 111.155 169.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -146.1 149.45 34.07 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.229 1.012 . . . . 0.0 111.15 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.79 127.45 13.35 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.213 1.005 . . . . 0.0 108.581 168.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.53 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 15.7 tppt? -107.46 139.62 41.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.652 1.581 . . . . 0.0 111.254 -174.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.517 HD13 ' N ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -112.53 143.04 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.234 1.414 . . . . 0.0 109.049 163.39 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.517 ' N ' HD13 ' A' ' 40' ' ' ILE . 9.5 tp -128.74 132.09 67.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 167.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -157.09 162.56 39.46 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 128.316 2.646 . . . . 0.0 110.931 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -100.64 98.06 8.66 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.94 -1.1 . . . . 0.0 109.919 161.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -36.34 75.07 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.052 0.941 . . . . 0.0 112.382 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.77 -27.38 65.84 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -104.62 1.27 29.42 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.548 1.539 . . . . 0.0 113.226 172.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.7 13.33 58.77 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.126 1.346 . . . . 0.0 114.447 -176.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -83.71 116.42 22.66 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.873 2.069 . . . . 0.0 111.682 -167.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.0 p -69.44 146.83 51.68 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.144 0.497 . . . . 0.0 111.374 168.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HB2' HG23 ' A' ' 41' ' ' ILE . 4.3 mmp_? -97.36 -33.05 11.57 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.554 -0.716 . . . . 0.0 110.095 152.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.27 22.0 59.64 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.795 0.712 . . . . 0.0 114.323 166.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -143.14 172.82 12.21 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.494 1.518 . . . . 0.0 111.111 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.55 -175.85 34.01 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 125.286 1.422 . . . . 0.0 113.139 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.53 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 74.9 m-85 -112.25 157.13 21.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.991 1.316 . . . . 0.0 109.974 166.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.8 p -140.29 143.34 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 125.324 1.45 . . . . 0.0 109.879 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 p -140.46 151.6 44.99 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -123.79 161.97 24.16 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.163 1.385 . . . . 0.0 113.008 -170.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.9 t -78.44 -20.88 50.09 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.068 1.747 . . . . 0.0 113.181 174.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -134.81 150.94 50.57 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.523 1.529 . . . . 0.0 112.994 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -34.59 78.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.558 1.543 . . . . 0.0 113.177 169.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -53.38 -44.53 68.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.515 1.526 . . . . 0.0 112.586 176.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.25 -45.99 36.55 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.003 0.921 . . . . 0.0 111.473 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -59.08 -47.36 85.53 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.466 0.706 . . . . 0.0 112.198 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -78.13 -33.99 50.14 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 118.983 -0.532 . . . . 0.0 112.283 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.82 -29.28 64.26 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.289 1.404 . . . . 0.0 111.869 173.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.37 -54.73 15.33 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.666 -0.646 . . . . 0.0 110.737 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.92 -41.55 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.541 1.536 . . . . 0.0 112.624 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -56.24 -31.97 64.05 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.316 1.046 . . . . 0.0 112.407 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.45 -44.59 6.47 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.102 1.334 . . . . 0.0 113.891 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.429 ' CB ' HG11 ' A' ' 82' ' ' VAL . 27.0 mtt -56.07 -37.54 69.46 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.932 1.366 . . . . 0.0 112.695 -176.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -62.92 92.42 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.459 1.504 . . . . 0.0 111.276 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.31 18.09 22.62 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -84.44 165.19 18.36 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.956 1.878 . . . . 0.0 113.626 172.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -96.44 133.47 40.82 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 153.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.7 tp -146.76 131.64 18.08 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.472 1.109 . . . . 0.0 110.622 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 t0 45.68 35.18 2.03 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.928 1.291 . . . . 0.0 113.563 -162.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.71 11.4 83.22 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.045 0.831 . . . . 0.0 114.877 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -118.84 155.05 31.89 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.626 1.97 . . . . 0.0 110.366 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -79.58 106.9 11.95 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.68 -0.638 . . . . 0.0 110.624 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.0 tt -75.5 134.33 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.184 0.594 . . . . 0.0 111.368 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.8 t -133.35 140.09 47.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.106 1.762 . . . . 0.0 108.84 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.429 HG11 ' CB ' ' A' ' 70' ' ' MET . 16.0 m -138.82 148.94 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -164.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -157.86 160.55 37.81 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.009 0.924 . . . . 0.0 111.799 158.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -60.72 151.39 29.5 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.927 -1.108 . . . . 0.0 113.699 169.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.3 -13.86 8.83 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.933 1.293 . . . . 0.0 113.103 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -57.87 -22.56 48.72 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.1 p -68.64 -25.99 65.11 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 173.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -89.31 -22.72 22.51 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.306 1.442 . . . . 0.0 112.704 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -78.45 -179.93 51.45 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.222 1.391 . . . . 0.0 115.846 -175.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -89.48 136.1 33.22 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.503 1.121 . . . . 0.0 111.044 175.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.8 174.79 54.03 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 115.764 1.066 . . . . 0.0 115.764 -174.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 116.857 -2.079 . . . . 0.0 116.564 -178.875 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.12 91.52 3.34 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.99 1.316 . . . . 0.0 109.129 169.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -91.55 83.55 5.39 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.479 1.912 . . . . 0.0 109.152 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.68 162.64 2.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.381 1.473 . . . . 0.0 112.449 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -53.84 -26.15 22.97 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -170.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.69 -23.11 77.48 Favored Glycine 0 CA--C 1.539 1.543 0 O-C-N 121.022 -1.049 . . . . 0.0 115.297 173.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.24 156.47 16.31 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.901 1.68 . . . . 0.0 111.318 172.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.73 158.23 44.62 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -177.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -85.22 79.13 9.65 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.175 0.988 . . . . 0.0 110.094 -174.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -131.84 144.95 51.27 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.164 1.786 . . . . 0.0 111.594 -168.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 p -131.97 156.39 46.28 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.125 0.97 . . . . 0.0 112.201 171.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -89.28 142.27 27.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.4 1.88 . . . . 0.0 110.009 172.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.5 t -141.26 139.87 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.141 1.776 . . . . 0.0 109.299 -166.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.77 123.2 1.22 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 117.461 1.745 . . . . 0.0 117.461 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 p -150.04 -1.85 0.41 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 129.112 2.965 . . . . 0.0 112.508 166.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 mt -75.14 162.15 28.76 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 122.686 1.231 . . . . 0.0 112.015 -154.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 t -138.53 168.56 19.51 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 126.581 1.952 . . . . 0.0 108.828 -173.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -44.18 -33.6 1.58 Allowed 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -97.64 -14.94 20.66 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.996 1.318 . . . . 0.0 114.496 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.19 141.69 28.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.055 0.942 . . . . 0.0 109.797 176.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -140.9 -165.24 1.9 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.941 -0.474 . . . . 0.0 111.129 171.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.27 -38.8 13.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.527 1.131 . . . . 0.0 113.439 175.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -50.09 -38.78 40.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.696 1.199 . . . . 0.0 113.161 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.06 -46.0 38.23 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 118.883 0.765 . . . . 0.0 113.467 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.73 -29.36 64.45 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.042 0.921 . . . . 0.0 113.033 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.1 -52.09 66.38 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.422 1.489 . . . . 0.0 110.793 170.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.2 -38.42 89.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.263 0.483 . . . . 0.0 111.893 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.21 -37.51 78.12 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -81.93 -19.47 40.7 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.3 t -57.7 -21.84 42.84 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -171.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 p -81.14 -18.75 45.32 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.857 1.263 . . . . 0.0 114.185 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -92.92 -27.2 17.22 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.424 1.889 . . . . 0.0 112.688 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.62 -176.03 45.32 Favored Glycine 0 CA--C 1.531 1.087 0 CA-C-N 120.095 1.316 . . . . 0.0 116.023 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -109.08 117.4 34.06 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.879 1.672 . . . . 0.0 110.836 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 mm -67.29 134.5 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.63 1.572 . . . . 0.0 113.59 -159.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.5 mt -100.58 -27.46 13.39 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 118.026 -0.988 . . . . 0.0 113.51 166.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -148.33 144.92 27.88 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.16 1.384 . . . . 0.0 110.979 176.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.73 108.41 4.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.991 1.316 . . . . 0.0 109.298 168.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HB3' ' H ' ' A' ' 54' ' ' PHE . 44.6 tptt -102.59 143.52 32.18 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.516 1.526 . . . . 0.0 109.998 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -117.8 140.38 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 125.62 1.568 . . . . 0.0 106.922 160.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.547 HG23 ' HB2' ' A' ' 50' ' ' ARG . 9.8 tp -119.56 118.26 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 122.58 1.181 . . . . 0.0 111.854 167.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -159.45 142.83 14.48 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.704 2.002 . . . . 0.0 108.463 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -109.03 86.83 2.36 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.573 1.079 . . . . 0.0 109.308 157.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -72.77 -19.29 61.39 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -165.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -70.59 -22.61 62.54 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.564 1.074 . . . . 0.0 112.884 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.4 p -110.44 14.97 22.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.24 1.416 . . . . 0.0 112.288 170.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.6 17.62 62.62 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.948 1.261 . . . . 0.0 115.274 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -82.47 69.91 9.32 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.122 1.369 . . . . 0.0 111.677 -169.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.8 m -72.88 96.18 2.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.7 0.8 . . . . 0.0 110.638 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.547 ' HB2' HG23 ' A' ' 41' ' ' ILE . 5.0 mtp180 -66.82 -25.64 66.54 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 121.172 -0.955 . . . . 0.0 110.775 173.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.78 19.99 78.47 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.135 1.35 . . . . 0.0 114.842 163.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -134.83 168.52 18.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.328 1.851 . . . . 0.0 110.34 -173.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.89 177.05 41.18 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 125.419 1.485 . . . . 0.0 113.235 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 83.7 m-85 -111.07 147.84 33.93 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.685 1.194 . . . . 0.0 109.946 167.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.07 149.59 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.426 1.09 . . . . 0.0 110.181 167.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -147.57 154.07 40.23 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -122.34 177.55 5.33 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.915 1.686 . . . . 0.0 110.591 172.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 m -72.05 -15.93 62.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.522 1.129 . . . . 0.0 113.822 172.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -150.51 160.97 43.41 Favored 'General case' 0 CA--C 1.552 1.058 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -75.27 -35.21 61.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.096 1.359 . . . . 0.0 114.158 -172.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -62.31 -45.37 93.55 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.963 0.905 . . . . 0.0 112.006 -169.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.68 78.6 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.914 0.886 . . . . 0.0 112.662 173.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 90.9 mmm -58.62 -42.16 87.59 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.234 0.925 . . . . 0.0 112.141 173.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -76.67 -34.45 58.24 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -64.47 -33.9 76.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.954 0.902 . . . . 0.0 111.176 170.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.91 61.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.3 0.64 . . . . 0.0 111.585 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.4 -36.45 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.627 1.103 . . . . 0.0 112.08 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.5 -27.45 67.79 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 171.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.88 -8.64 50.97 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.692 1.615 . . . . 0.0 115.733 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.6 mmt -96.1 -41.45 8.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.679 1.991 . . . . 0.0 113.43 -175.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -62.56 108.87 1.22 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -161.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.97 5.92 70.17 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.3 1.429 . . . . 0.0 115.892 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -68.03 163.18 22.9 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.73 1.765 . . . . 0.0 113.95 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -103.9 109.4 21.14 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.135 1.374 . . . . 0.0 108.885 171.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 tp -142.41 131.8 23.63 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.127 1.371 . . . . 0.0 110.611 -165.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 t0 53.41 25.02 4.3 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -159.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.08 -3.63 75.55 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 126.121 1.82 . . . . 0.0 115.59 -170.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -114.53 154.71 27.77 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.842 1.657 . . . . 0.0 112.065 -168.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.8 p -73.9 128.8 36.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.879 0.872 . . . . 0.0 112.273 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.4 tt -112.29 139.82 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 -174.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 t -119.57 146.61 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 127.96 2.504 . . . . 0.0 110.457 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.9 m -137.81 141.43 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.891 1.676 . . . . 0.0 112.458 -178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -158.47 155.64 28.87 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.058 0.943 . . . . 0.0 113.308 163.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -60.88 142.68 56.06 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.399 1.48 . . . . 0.0 114.96 -176.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.45 30.01 4.19 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 125.941 1.696 . . . . 0.0 114.295 -177.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -100.53 -12.77 19.02 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -172.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.0 m -72.19 -31.79 66.22 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -173.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -70.0 -10.98 60.49 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -169.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -84.86 -0.33 89.1 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.855 1.217 . . . . 0.0 115.214 176.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -123.99 144.24 49.93 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.598 1.559 . . . . 0.0 113.17 -173.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -154.88 137.19 5.53 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.683 1.135 . . . . 0.0 112.284 168.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.243 0 C-N-CA 125.69 1.614 . . . . 0.0 112.466 178.046 . . . . . . . . 0 0 . 1 stop_ save_