data_2kyw_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 2kyw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 CA--C 1.549 0.94 0 CA-C-O 120.656 0.265 . . . . 72.43 110.512 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -114.13 144.84 42.5 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.579 0.752 . . . . 72.42 110.455 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -107.66 169.25 8.71 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.972 0.891 . . . . 74.34 113.354 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.09 118.82 7.53 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 113.95 -1.477 . . . . 71.33 108.15 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -105.73 123.71 48.38 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.076 0.465 . . . . 72.25 110.152 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 11.7 mt -103.5 97.83 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.689 -0.856 . . . . 72.24 108.689 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.8 m -106.23 111.29 23.83 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 110.114 -0.328 . . . . 75.23 110.114 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -73.48 124.7 26.34 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.926 -0.768 . . . . 71.4 108.926 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 m -126.92 150.86 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.861 0.864 . . . . 73.21 110.419 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -92.88 96.82 10.36 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.479 -0.563 . . . . 63.23 109.479 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' HB2' ' HB3' ' A' ' 75' ' ' HIS . 15.1 t70 -61.62 -19.33 62.14 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.89 1.276 . . . . 71.14 112.582 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.498 ' HB2' ' HA ' ' A' ' 77' ' ' LYS . 14.3 t70 -80.9 -26.69 36.64 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.598 0.759 . . . . 64.35 111.05 175.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.44 41.37 2.33 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.659 0.784 . . . . 75.04 110.689 -173.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.84 28.92 70.96 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 115.258 0.863 . . . . 65.35 115.258 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.05 23.66 56.79 Favored Glycine 0 CA--C 1.54 1.642 0 N-CA-C 114.791 0.676 . . . . 71.42 114.791 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.88 132.08 43.06 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 117.632 0.716 . . . . 75.14 111.13 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.454 HE22 HG13 ' A' ' 22' ' ' ILE . 64.4 tt0 -61.03 131.24 49.99 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.862 1.06 . . . . 73.41 113.862 -166.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.64 111.42 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.247 1.019 . . . . 73.13 108.46 172.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.76 -113.28 3.76 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 120.174 -0.237 . . . . 34.41 113.278 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -150.49 171.8 16.48 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.361 0.601 . . . . 64.52 112.223 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.454 HG13 HE22 ' A' ' 18' ' ' GLN . 62.3 mt -81.29 132.62 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.74 0.816 . . . . 75.22 110.481 176.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.551 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 21.8 t -93.64 100.81 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 N-CA-C 108.814 -0.809 . . . . 72.34 108.814 174.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.6 m -86.83 106.06 17.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.834 0.454 . . . . 65.4 110.019 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.1 m -115.98 139.15 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 122.759 0.424 . . . . 74.42 109.868 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.0 p -130.03 156.36 44.62 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.351 0.66 . . . . 73.14 110.829 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.82 -140.21 4.6 Favored Glycine 0 N--CA 1.468 0.768 0 CA-C-N 115.722 -0.672 . . . . 73.4 111.823 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -124.4 155.74 38.31 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.339 0.569 . . . . 74.13 110.164 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.8 m -53.65 -30.57 43.76 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.44 0.696 . . . . 74.44 112.699 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.86 -30.5 71.56 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.427 0.691 . . . . 64.33 112.295 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -92.36 135.6 33.89 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.78 0.832 . . . . 75.1 111.89 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -119.8 138.03 53.61 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.537 0.735 . . . . 65.32 109.859 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -109.42 152.86 24.81 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.777 0.831 . . . . 73.22 111.623 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.542 HG22 HG21 ' A' ' 61' ' ' THR . 61.1 p -113.16 115.89 28.97 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.735 0.814 . . . . 63.25 109.681 173.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -115.7 125.47 52.86 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.585 0.754 . . . . 73.52 111.11 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.5 m -84.2 128.8 34.79 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.827 0.451 . . . . 72.13 110.046 173.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.3 t -74.54 131.51 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 124.135 0.974 . . . . 73.31 110.15 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.1 p -105.71 114.19 28.2 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.097 0.959 . . . . 74.05 109.67 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.0 mm -93.49 107.85 29.52 Favored Pre-proline 0 CA--C 1.557 1.224 0 C-N-CA 123.475 0.71 . . . . 71.23 110.935 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -83.74 169.83 11.76 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.894 2.396 . . . . 74.43 113.849 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.27 109.11 1.04 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 114.052 1.13 . . . . 73.43 114.052 -172.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.37 10.46 58.19 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 115.771 -0.649 . . . . 73.13 114.456 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 37.0 m-85 -119.81 140.44 50.77 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 117.542 0.671 . . . . 73.55 110.563 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -118.27 129.58 55.55 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.351 1.06 . . . . 72.41 110.824 -171.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -63.7 115.47 4.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 118.174 0.443 . . . . 72.4 111.914 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.6 t -94.14 -55.13 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.556 0.743 . . . . 74.32 110.114 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.26 172.9 44.97 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-N 115.701 -0.681 . . . . 70.35 113.708 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 76.6 m -136.02 139.93 43.49 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.032 0.933 . . . . 72.01 110.175 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -130.94 153.84 48.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.57 0.748 . . . . 62.44 110.857 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.54 -139.68 14.69 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-O 118.19 -1.339 . . . . 75.33 110.098 -166.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 3.2 116.31 0.0 OUTLIER Glycine 0 N--CA 1.494 2.512 0 N-CA-C 116.48 1.352 . . . . 70.14 116.48 153.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.454 ' HB ' ' HG1' ' A' ' 61' ' ' THR . 47.3 t -67.18 106.08 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.352 0.661 . . . . 75.4 110.666 -168.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 p -77.65 139.84 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 122.818 0.447 . . . . 63.3 111.349 -173.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -71.67 164.87 25.14 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.366 0.666 . . . . 71.24 111.744 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.9 m -64.31 -27.82 69.29 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.356 0.662 . . . . 75.21 112.511 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -82.39 -18.65 41.25 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.181 0.592 . . . . 75.23 112.327 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.4 -20.36 5.08 Favored Glycine 0 CA--C 1.544 1.85 0 N-CA-C 115.268 0.867 . . . . 74.55 115.268 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.564 ' HZ2' ' HB2' ' A' ' 58' ' ' LYS . 9.0 mtmp? -79.06 -16.59 56.59 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.932 0.893 . . . . 74.21 112.067 -175.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.5 p -126.69 152.66 46.47 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.553 0.741 . . . . 74.34 110.671 173.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.1 t -138.41 118.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 124.421 1.088 . . . . 71.43 109.988 -175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.542 HG21 HG22 ' A' ' 34' ' ' THR . 69.4 p -83.11 103.36 12.48 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 121.727 0.775 . . . . 64.42 110.211 173.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.8 mt -93.15 150.4 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.13 1.372 . . . . 74.24 110.144 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.5 m -140.98 133.22 28.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.828 -0.545 . . . . 61.33 110.516 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -72.61 136.94 45.84 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.987 0.915 . . . . 74.52 111.449 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.93 131.13 38.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.909 0.484 . . . . 75.44 111.409 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.5 -21.45 48.9 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.085 0.554 . . . . 54.42 111.239 171.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.98 -62.09 1.81 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.941 0.896 . . . . 75.55 110.845 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.81 -44.95 19.64 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.159 0.983 . . . . 74.43 112.43 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m 56.42 96.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.674 -1.232 . . . . 71.12 107.674 -156.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -67.81 82.39 0.19 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.772 0.796 . . . . 72.43 111.564 -155.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -69.26 97.07 0.9 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.584 -1.189 . . . . 65.45 110.143 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.9 t -87.7 116.4 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 N-CA-C 108.845 -0.798 . . . . 74.31 108.845 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.8 t -110.04 110.65 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.274 0.629 . . . . 62.02 110.123 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -100.99 108.59 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 123.221 0.608 . . . . 71.33 109.783 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 43.4 m-70 -83.45 132.85 34.94 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.351 1.06 . . . . 73.3 110.591 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.7 mt -132.22 137.32 47.52 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 123.366 0.667 . . . . 75.14 111.289 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 13' ' ' ASP . 67.8 mttm -107.69 170.99 7.64 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.4 -0.813 . . . . 74.01 111.35 174.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -89.14 128.75 35.8 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 122.15 -0.344 . . . . 74.43 111.015 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.62 -123.93 3.71 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 116.411 -0.359 . . . . 73.12 112.304 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 N--CA 1.481 1.12 0 C-N-CA 123.053 0.541 . . . . 75.44 109.808 177.549 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.428 0.632 . . . . 52.02 111.31 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.436 ' HB3' ' HB3' ' A' ' 64' ' ' PHE . 12.3 tp10 -112.02 146.46 37.87 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.911 0.884 . . . . 75.24 111.214 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -109.57 124.75 51.65 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.944 0.898 . . . . 71.34 109.797 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.75 138.16 44.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.51 1.124 . . . . 64.03 110.323 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.502 ' HA ' HG22 ' A' ' 24' ' ' THR . 67.2 p -96.96 138.9 33.79 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.489 0.716 . . . . 73.33 112.202 -169.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.1 mt -128.69 110.71 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 124.935 1.294 . . . . 74.54 108.802 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -117.86 109.44 16.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.794 0.437 . . . . 70.54 111.049 -174.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -73.13 133.14 44.01 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 108.73 -0.841 . . . . 72.45 108.73 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 m -133.52 166.14 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.021 0.928 . . . . 72.53 110.289 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -126.95 115.48 19.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.396 0.678 . . . . 75.14 109.547 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -67.1 -26.24 66.61 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.46 1.104 . . . . 72.14 113.069 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -76.69 -8.57 57.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.948 -0.47 . . . . 72.35 111.171 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.8 mmpt? -105.62 18.68 21.8 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.144 0.978 . . . . 73.34 110.214 168.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.25 30.69 69.26 Favored Glycine 0 C--N 1.355 1.588 0 C-N-CA 123.183 0.421 . . . . 60.34 114.149 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.71 31.02 51.22 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 122.891 0.281 . . . . 63.12 113.394 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.35 140.04 31.86 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.476 0.71 . . . . 74.31 110.902 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -68.93 140.88 55.1 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.214 0.82 . . . . 74.22 113.214 -169.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.14 109.67 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.3 1.04 . . . . 73.04 108.845 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.48 -156.92 45.43 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.265 0.353 . . . . 43.5 113.153 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -94.13 154.9 17.35 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.124 0.569 . . . . 75.53 110.369 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.18 130.2 34.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 C-N-CA 123.198 0.599 . . . . 74.21 110.354 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.7 t -93.55 140.51 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.096 -1.075 . . . . 74.35 108.096 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 6' ' ' THR . 56.6 p -131.91 145.81 51.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.67 -0.644 . . . . 71.01 112.031 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 m -116.33 138.44 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.466 1.106 . . . . 75.23 109.962 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.8 m -113.72 140.24 48.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.868 -0.52 . . . . 70.24 111.7 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.1 174.87 42.08 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.746 0.689 . . . . 65.22 111.571 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -81.24 154.15 26.77 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.141 -0.689 . . . . 74.44 109.141 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.6 p -55.13 -28.24 51.22 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 113.782 1.03 . . . . 74.14 113.782 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.76 -13.48 61.33 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.992 0.917 . . . . 70.3 112.874 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -101.94 151.93 21.53 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.505 0.722 . . . . 72.21 111.886 -177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -125.68 139.18 53.77 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.276 1.03 . . . . 73.12 108.672 167.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.0 t -115.97 160.69 19.91 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.624 0.769 . . . . 74.45 110.808 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.8 m -114.62 125.43 53.75 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.154 0.582 . . . . 71.15 109.639 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -112.53 131.56 55.54 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.129 0.972 . . . . 65.01 110.396 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.9 m -84.39 117.34 23.56 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.842 0.457 . . . . 65.12 110.659 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.28 116.11 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 124.471 1.108 . . . . 72.34 110.128 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.7 p -102.37 119.55 39.0 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.611 0.765 . . . . 75.15 110.677 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.7 mm -90.34 119.36 69.18 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.446 0.698 . . . . 74.54 110.794 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.08 143.24 25.55 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 123.045 2.497 . . . . 62.23 112.533 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.15 120.49 12.2 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.453 0.701 . . . . 72.41 110.767 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.36 -25.52 17.62 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 123.544 0.592 . . . . 51.43 112.63 -172.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 39.5 m-85 -104.84 126.84 52.32 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.143 0.977 . . . . 73.34 110.08 177.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.409 ' HB2' ' HG2' ' A' ' 77' ' ' LYS . 11.5 mm-40 -100.3 130.25 46.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.061 0.944 . . . . 72.41 109.894 -175.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -65.02 115.25 5.22 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.328 0.651 . . . . 73.22 111.264 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.5 t -93.46 -42.52 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.415 0.686 . . . . 73.41 110.099 177.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.74 -174.27 43.98 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.005 -0.543 . . . . 74.53 113.747 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.4 m -132.36 139.28 48.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.292 1.037 . . . . 74.52 109.826 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.63 152.41 45.21 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.435 1.094 . . . . 71.01 110.636 -174.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.41 -72.46 1.52 Allowed Glycine 0 N--CA 1.479 1.521 0 C-N-CA 122.76 0.219 . . . . 64.24 112.747 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.01 172.81 48.16 Favored Glycine 0 N--CA 1.478 1.495 0 CA-C-N 116.548 0.174 . . . . 70.22 113.069 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.426 ' HB ' HG21 ' A' ' 61' ' ' THR . 31.7 t -86.57 107.8 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 109.774 -0.454 . . . . 74.35 109.774 -176.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.4 p -84.2 147.99 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 122.926 0.49 . . . . 75.52 111.315 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.9 t -69.54 160.81 30.79 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.547 0.739 . . . . 72.21 111.08 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 t -62.17 -31.27 71.75 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.731 0.812 . . . . 72.41 113.078 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -89.61 -10.81 44.6 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.358 0.663 . . . . 75.21 112.386 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.33 12.25 84.75 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 114.703 0.641 . . . . 75.33 114.703 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.643 ' HZ1' ' HB3' ' A' ' 58' ' ' LYS . 5.2 ttpm? -78.8 -36.02 43.38 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.627 0.771 . . . . 74.5 112.2 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.9 p -131.86 165.69 23.27 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.424 0.69 . . . . 72.23 111.604 -175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.57 131.22 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.187 0.995 . . . . 75.33 110.387 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.426 HG21 ' HB ' ' A' ' 52' ' ' VAL . 11.0 t -88.94 123.59 33.43 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.681 0.753 . . . . 74.43 110.714 175.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.605 HG12 HG23 ' A' ' 72' ' ' VAL . 18.1 mt -116.1 119.3 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.688 1.195 . . . . 72.01 109.7 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.9 m -107.66 129.8 54.98 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.553 -0.536 . . . . 71.15 109.553 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.436 ' HB3' ' HB3' ' A' ' 3' ' ' GLU . 38.3 m-85 -74.27 138.72 43.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.8 0.84 . . . . 73.44 110.982 -170.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.2 153.24 32.33 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 112.411 0.523 . . . . 71.22 112.411 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.55 22.09 0.6 Allowed 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.196 0.999 . . . . 62.12 111.432 171.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -132.3 158.61 41.42 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.039 1.336 . . . . 75.12 109.748 -174.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.0 -8.69 17.03 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.684 0.994 . . . . 73.0 113.684 -178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.5 p -65.33 -10.63 34.53 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 113.751 1.019 . . . . 64.52 113.751 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.65 -31.2 72.32 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.838 0.855 . . . . 64.42 112.633 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.99 133.98 56.64 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.09 0.956 . . . . 75.43 113.348 -172.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.605 HG23 HG12 ' A' ' 62' ' ' ILE . 88.9 t -124.64 117.15 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 N-CA-C 108.796 -0.816 . . . . 75.41 108.796 171.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.47 112.07 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.364 0.665 . . . . 73.21 109.912 -177.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.0 mm -85.81 117.59 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 109.384 -0.599 . . . . 61.44 109.384 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -94.97 119.98 34.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.24 0.616 . . . . 73.12 110.783 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.4 mt -121.33 169.07 10.96 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.664 1.186 . . . . 74.11 109.355 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' HG2' ' HB2' ' A' ' 44' ' ' GLU . 13.0 ptmm? -143.52 171.4 14.21 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.648 -0.501 . . . . 74.12 109.648 175.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -90.89 146.79 23.62 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.659 -0.65 . . . . 74.23 111.318 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.82 -148.08 16.15 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.763 -0.653 . . . . 71.12 112.458 171.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 122.711 0.404 . . . . 74.43 110.396 175.343 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.335 -0.617 . . . . 73.33 109.335 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.544 ' HG2' ' HB ' ' A' ' 29' ' ' THR . 13.3 mp0 -100.53 140.29 35.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.267 0.627 . . . . 73.53 111.25 -167.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.29 162.6 23.41 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.348 0.594 . . . . 73.23 111.052 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.59 133.6 38.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.866 0.866 . . . . 50.41 109.655 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.7 p -100.03 126.13 46.18 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.321 0.648 . . . . 74.43 110.781 -173.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.57 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 26.4 mt -106.82 101.42 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.923 0.889 . . . . 73.51 109.681 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.3 m -110.24 111.49 22.84 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.336 0.655 . . . . 74.04 110.179 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -73.16 130.15 39.62 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.448 -0.575 . . . . 72.01 109.448 169.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.06 149.24 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.017 0.927 . . . . 71.13 109.694 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -91.07 105.34 17.75 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.524 -0.547 . . . . 70.3 109.524 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.25 -27.19 67.03 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.188 1.395 . . . . 62.12 111.853 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.34 -15.81 62.41 Favored 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 123.315 0.646 . . . . 74.42 111.662 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 17.31 15.72 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.721 0.808 . . . . 65.35 110.846 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.5 18.52 67.87 Favored Glycine 0 CA--C 1.543 1.801 0 N-CA-C 115.501 0.96 . . . . 75.5 115.501 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.43 51.07 0.47 Allowed Glycine 0 N--CA 1.48 1.632 0 CA-C-N 117.516 0.658 . . . . 34.3 114.247 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.33 122.59 37.04 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.048 0.539 . . . . 65.32 110.801 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.43 121.53 12.31 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.028 0.531 . . . . 73.14 112.327 -172.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -95.33 106.01 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 124.118 0.967 . . . . 73.52 109.186 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.51 -104.76 2.0 Allowed Glycine 0 CA--C 1.538 1.5 0 CA-C-O 119.889 -0.395 . . . . 74.4 112.275 -173.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -162.53 -177.88 5.89 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.253 0.621 . . . . 73.11 111.635 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.2 mt -80.99 140.74 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 123.957 0.903 . . . . 64.14 111.831 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 36.0 t -106.4 100.29 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.698 0.799 . . . . 65.21 108.928 172.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -86.11 114.98 23.4 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 121.974 -0.454 . . . . 74.24 109.886 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -104.44 139.51 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.702 0.401 . . . . 74.24 110.095 172.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.8 p -111.62 145.55 38.99 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.915 0.486 . . . . 74.43 111.053 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.78 -141.21 3.14 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 115.272 -0.876 . . . . 63.42 111.572 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -136.06 140.33 43.72 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 117.146 0.473 . . . . 73.43 110.026 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.544 ' HB ' ' HG2' ' A' ' 3' ' ' GLU . 8.9 t -57.96 -20.31 37.02 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 114.358 1.244 . . . . 64.32 114.358 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.57 -38.58 84.3 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.814 0.846 . . . . 64.04 111.576 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -110.31 165.07 12.07 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 122.004 0.907 . . . . 75.12 112.895 -171.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 63' ' ' THR . 88.1 p -114.36 170.23 8.45 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.123 -1.399 . . . . 72.45 110.67 173.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.5 t -137.39 160.82 37.99 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.615 0.766 . . . . 63.23 110.571 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 p -109.3 128.48 55.12 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.454 0.701 . . . . 74.41 109.887 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -121.89 122.53 39.61 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.404 0.682 . . . . 74.14 109.982 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -76.47 122.73 24.96 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.85 -0.426 . . . . 74.22 109.85 174.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.6 t -74.36 125.26 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 N-CA-C 108.966 -0.754 . . . . 74.44 108.966 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 p -105.94 113.59 27.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.459 0.704 . . . . 72.42 109.578 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mm -92.64 109.21 37.2 Favored Pre-proline 0 N--CA 1.484 1.265 0 C-N-CA 122.932 0.493 . . . . 74.43 110.027 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' HD11 ' A' ' 76' ' ' LEU . 48.1 Cg_endo -65.8 145.85 81.87 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 122.463 2.109 . . . . 51.45 112.1 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.8 113.8 1.63 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.342 1.057 . . . . 73.12 112.122 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.47 -6.86 28.3 Favored Glycine 0 N--CA 1.481 1.639 0 C-N-CA 122.967 0.318 . . . . 75.02 113.731 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -109.11 161.08 15.54 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.552 0.741 . . . . 72.5 111.392 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -127.98 144.09 51.1 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.2 1.0 . . . . 74.41 109.857 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -69.85 132.52 46.16 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 122.858 0.463 . . . . 75.31 111.863 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.1 t -108.69 -61.75 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.399 0.68 . . . . 75.2 111.44 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.61 165.24 37.66 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-O 120.054 -0.303 . . . . 74.51 113.446 -174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.7 m -121.79 138.7 54.27 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.38 0.672 . . . . 74.42 111.508 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.59 ' HB2' ' HB ' ' A' ' 73' ' ' VAL . 22.2 m-20 -110.55 154.32 23.88 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.711 1.204 . . . . 75.21 110.437 178.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.66 -70.06 3.24 Favored Glycine 0 N--CA 1.479 1.5 0 N-CA-C 113.784 0.273 . . . . 63.21 113.784 172.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.58 -179.33 52.91 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 122.611 0.148 . . . . 63.34 113.263 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.1 t -105.33 115.31 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.282 0.633 . . . . 74.55 109.731 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.3 p -83.86 147.62 5.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 CA-C-O 121.123 0.487 . . . . 71.14 111.176 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -72.59 163.3 28.27 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.577 0.751 . . . . 64.23 112.098 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.0 p -58.99 -35.66 73.61 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.599 1.159 . . . . 75.24 113.075 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.99 -13.13 51.58 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.239 0.615 . . . . 72.12 112.094 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.37 6.58 80.79 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 114.767 0.667 . . . . 62.51 114.767 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -80.88 -35.94 31.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.511 0.724 . . . . 72.34 111.398 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.8 p -126.06 162.09 26.11 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.814 0.846 . . . . 73.54 111.461 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.6 p -130.81 122.87 53.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 C-N-CA 124.55 1.14 . . . . 75.43 109.782 174.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.8 m -77.38 108.85 10.82 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.445 -0.576 . . . . 75.41 109.445 171.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.45 HG12 HG21 ' A' ' 72' ' ' VAL . 21.4 mt -104.71 110.3 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.699 0.8 . . . . 74.32 110.076 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 12.4 m -91.76 148.43 22.25 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 108.905 -0.776 . . . . 74.42 108.905 175.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -88.39 141.64 28.38 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.895 -0.503 . . . . 75.34 111.164 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.03 153.19 42.71 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.916 0.886 . . . . 74.15 110.223 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.4 -18.81 65.57 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.464 0.705 . . . . 73.53 112.035 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -116.12 -173.2 2.32 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 124.554 1.142 . . . . 70.21 111.575 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -90.63 13.39 16.11 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.095 1.146 . . . . 73.21 114.095 -170.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.8 t -62.54 -24.36 67.47 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 113.524 0.935 . . . . 74.44 113.524 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -116.84 10.09 14.07 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.584 0.754 . . . . 61.13 112.014 -173.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.16 116.48 10.58 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.096 0.558 . . . . 64.44 109.694 175.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 99.4 t -88.47 126.17 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.53 0.732 . . . . 70.23 111.686 -167.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.59 ' HB ' ' HB2' ' A' ' 49' ' ' ASP . 72.9 t -118.5 103.21 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 108.997 -0.742 . . . . 71.43 108.997 174.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.5 mt -89.14 125.86 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.462 0.705 . . . . 71.22 110.466 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -98.09 125.64 43.18 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.2 1.0 . . . . 74.44 109.994 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.463 HD11 ' HD2' ' A' ' 40' ' ' PRO . 57.5 mt -128.04 134.87 49.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.239 0.616 . . . . 74.55 109.807 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -102.63 172.68 6.71 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 109.965 -0.383 . . . . 74.22 109.965 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -87.94 142.43 27.8 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.938 -0.393 . . . . 71.23 109.938 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.77 116.63 8.47 Favored Glycine 0 C--N 1.349 1.279 0 N-CA-C 111.124 -0.791 . . . . 72.04 111.124 170.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.487 1.383 0 C-N-CA 123.389 0.675 . . . . 75.11 112.74 -163.849 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 CA--C 1.555 1.136 0 CA-C-O 121.245 0.545 . . . . 64.31 110.874 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -98.71 138.47 35.83 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.338 0.655 . . . . 74.41 110.19 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -113.17 148.83 34.62 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-O 121.417 0.627 . . . . 65.02 112.418 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -114.02 135.96 53.44 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.65 1.18 . . . . 64.21 110.083 176.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -111.53 126.72 55.28 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.526 0.73 . . . . 71.12 111.083 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.71 123.55 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.76 0.824 . . . . 72.21 109.938 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.2 m -121.28 115.47 23.05 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.08 0.552 . . . . 72.11 110.608 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -75.83 135.32 40.22 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.96 0.504 . . . . 75.04 109.966 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.19 150.2 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 123.392 0.677 . . . . 72.23 111.158 -177.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -105.63 111.83 24.67 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.314 0.646 . . . . 75.35 110.509 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.07 -24.92 68.13 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.815 1.246 . . . . 72.11 113.441 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -86.51 -3.75 59.06 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 112.367 0.506 . . . . 70.52 112.367 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -124.09 23.66 8.41 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.549 0.74 . . . . 74.43 110.48 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.61 35.01 79.91 Favored Glycine 0 C--N 1.351 1.369 0 CA-C-N 116.093 -0.503 . . . . 72.21 114.208 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.9 40.66 43.55 Favored Glycine 0 CA--C 1.541 1.677 0 N-CA-C 114.33 0.492 . . . . 74.24 114.33 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.59 145.64 30.53 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 117.44 0.62 . . . . 74.1 111.527 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -60.73 123.22 16.83 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 113.093 0.775 . . . . 72.32 113.093 -173.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.1 t -93.59 106.14 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 123.788 0.835 . . . . 74.2 109.249 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.8 -96.98 0.47 Allowed Glycine 0 CA--C 1.536 1.372 0 N-CA-C 114.726 0.65 . . . . 72.42 114.726 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.54 159.31 29.43 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 113.349 0.87 . . . . 72.4 113.349 -163.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.3 mt -106.75 123.4 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.012 0.925 . . . . 73.3 108.551 163.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG23 ' HH ' ' A' ' 35' ' ' TYR . 59.1 t -97.96 108.44 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.667 0.787 . . . . 73.45 110.509 -176.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 m -98.07 106.4 18.69 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.696 -0.483 . . . . 72.22 109.696 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -104.01 141.08 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.12 0.568 . . . . 63.04 110.116 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.4 m -121.99 135.07 54.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.863 -0.523 . . . . 64.12 111.893 -173.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.68 -110.54 0.41 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 111.079 -0.808 . . . . 64.31 111.079 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 82.5 tttt -155.73 151.59 27.52 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.221 0.608 . . . . 74.33 110.161 173.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.3 t -58.29 -24.29 59.06 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 113.342 0.867 . . . . 72.22 113.342 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.98 -36.74 64.56 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.921 0.888 . . . . 71.23 110.986 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -85.76 158.91 19.89 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.046 0.938 . . . . 72.11 112.189 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.1 p -133.46 159.53 40.08 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.879 0.871 . . . . 73.04 111.066 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -137.29 161.26 36.72 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.8 0.84 . . . . 72.23 110.983 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.1 p -119.21 110.61 17.22 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.787 0.835 . . . . 75.03 110.119 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.566 ' HH ' HG23 ' A' ' 23' ' ' VAL . 53.8 t80 -101.31 138.2 38.64 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.781 0.832 . . . . 72.22 110.913 -176.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.3 t -86.56 138.43 31.72 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 121.033 0.444 . . . . 72.12 111.567 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.486 HG11 HG22 ' A' ' 74' ' ' ILE . 89.1 t -76.48 127.31 37.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.353 0.661 . . . . 73.21 110.186 176.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.0 m -99.35 106.1 18.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.145 0.978 . . . . 74.42 109.488 -175.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.6 mm -90.33 113.68 58.34 Favored Pre-proline 0 CA--C 1.559 1.292 0 C-N-CA 123.434 0.694 . . . . 73.35 110.705 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.47 162.65 33.11 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.813 2.342 . . . . 74.23 112.695 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.59 119.33 14.59 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.761 0.824 . . . . 64.14 111.527 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.15 12.21 63.74 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 116.122 -0.49 . . . . 73.2 113.716 -176.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -123.1 146.33 47.81 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.691 0.796 . . . . 72.13 110.847 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -119.07 149.33 41.86 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.909 0.884 . . . . 63.32 110.36 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -69.79 132.05 45.47 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.202 0.601 . . . . 74.43 111.746 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.9 t -107.09 -60.37 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.264 0.626 . . . . 73.25 111.386 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.25 -175.37 35.84 Favored Glycine 0 N--CA 1.483 1.821 0 N-CA-C 113.82 0.288 . . . . 55.11 113.82 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.4 m -148.75 138.35 21.96 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.911 0.885 . . . . 72.31 110.844 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -122.69 153.7 39.07 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.499 1.12 . . . . 74.42 111.089 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.51 -71.57 1.14 Allowed Glycine 0 N--CA 1.477 1.402 0 CA-C-N 116.636 -0.256 . . . . 51.55 113.268 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.2 -172.8 43.42 Favored Glycine 0 CA--C 1.535 1.313 0 N-CA-C 113.637 0.215 . . . . 45.34 113.637 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.09 150.49 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.252 0.621 . . . . 74.31 109.567 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.18 149.38 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.072 0.549 . . . . 74.23 111.547 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -72.02 159.72 33.72 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.837 0.855 . . . . 75.54 111.808 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.3 m -69.16 -24.09 64.03 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.347 0.659 . . . . 74.1 111.548 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -81.64 -19.85 40.87 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.441 0.696 . . . . 75.2 111.317 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.21 11.87 59.7 Favored Glycine 0 C--N 1.355 1.626 0 N-CA-C 115.018 0.767 . . . . 72.1 115.018 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -90.35 -17.16 27.8 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.614 0.766 . . . . 70.0 112.108 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 69.4 p -133.49 153.63 51.47 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.692 0.797 . . . . 73.32 110.332 172.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.8 m -130.69 122.67 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 C-N-CA 125.078 1.351 . . . . 73.32 109.501 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.0 m -86.09 105.93 16.86 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.321 0.581 . . . . 74.22 109.851 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.497 HG12 HG22 ' A' ' 72' ' ' VAL . 50.0 mt -107.89 110.46 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.43 1.092 . . . . 74.34 110.919 -171.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.1 m -90.66 129.25 36.79 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.782 -0.821 . . . . 74.41 108.782 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 56.1 m-85 -65.32 149.64 49.63 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.981 -0.377 . . . . 75.24 109.981 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.19 151.23 32.74 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.944 0.402 . . . . 71.22 112.055 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.88 -4.65 57.05 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 115.687 -0.688 . . . . 74.4 110.311 163.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -97.4 163.98 12.65 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 125.36 1.464 . . . . 73.31 110.644 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.62 -2.81 15.49 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 113.959 1.096 . . . . 75.31 113.959 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.2 m -71.38 1.81 5.77 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 113.096 0.776 . . . . 75.43 113.096 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.451 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 4.8 p-10 -76.61 -25.61 54.07 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.691 0.797 . . . . 75.14 111.284 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -70.97 101.42 2.18 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.746 0.819 . . . . 70.22 110.924 -174.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.497 HG22 HG12 ' A' ' 62' ' ' ILE . 97.9 t -101.33 117.46 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.594 -0.521 . . . . 75.32 109.594 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.65 107.16 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.396 0.678 . . . . 71.0 109.911 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.486 HG22 HG11 ' A' ' 37' ' ' VAL . 71.2 mt -92.53 117.26 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.12 0.568 . . . . 74.32 109.83 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -85.47 137.52 32.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.516 1.126 . . . . 74.42 111.567 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -139.35 141.89 37.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.042 1.337 . . . . 74.54 110.05 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -125.43 173.29 8.99 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.276 0.63 . . . . 73.43 110.034 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -82.65 122.68 28.44 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 122.754 0.422 . . . . 72.3 111.151 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.94 36.54 4.11 Favored Glycine 0 N--CA 1.473 1.121 0 N-CA-C 111.088 -0.805 . . . . 65.1 111.088 174.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 124.234 1.014 . . . . 74.14 111.23 -172.811 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 CA--C 1.551 0.983 0 N-CA-C 109.753 -0.462 . . . . 73.42 109.753 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -97.53 139.61 33.19 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 110.145 -0.316 . . . . 75.24 110.145 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -102.32 167.36 10.03 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.486 0.55 . . . . 73.02 112.486 -174.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.402 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -139.39 146.87 40.72 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.371 1.069 . . . . 74.44 110.388 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 m -108.69 136.64 47.94 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.839 0.856 . . . . 72.44 110.864 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.504 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.3 mp -118.63 133.45 65.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 108.385 -0.968 . . . . 74.43 108.385 170.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.4 m -144.45 112.65 6.43 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.996 0.518 . . . . 74.31 110.739 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.424 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 41.0 m-85 -74.67 146.78 42.06 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.123 0.569 . . . . 75.54 110.346 173.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -145.39 144.69 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 C-N-CA 124.565 1.146 . . . . 72.51 109.555 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -90.92 113.45 25.67 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.808 0.443 . . . . 73.31 110.637 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.33 -23.39 66.99 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.71 0.404 . . . . 72.01 110.755 168.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.604 ' HB2' ' HG3' ' A' ' 77' ' ' LYS . 25.8 t70 -62.13 -34.74 76.95 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.891 1.276 . . . . 75.15 111.68 171.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.88 28.6 7.81 Favored 'General case' 0 CA--C 1.566 1.569 0 C-N-CA 123.68 0.792 . . . . 73.53 110.918 -173.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.37 27.59 72.5 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 115.294 0.878 . . . . 53.14 115.294 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.82 27.5 45.99 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 114.02 0.368 . . . . 73.34 114.02 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 133.53 36.18 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.344 0.658 . . . . 72.11 111.922 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -61.71 133.09 55.14 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 113.533 0.938 . . . . 74.11 113.533 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.513 HG21 HD13 ' A' ' 76' ' ' LEU . 46.7 t -87.47 105.53 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.835 0.854 . . . . 74.52 109.629 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.19 -134.31 33.92 Favored Glycine 0 CA--C 1.542 1.747 0 N-CA-C 114.462 0.545 . . . . 74.12 114.462 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -96.53 -172.84 2.6 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.798 0.839 . . . . 74.43 112.461 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.4 mt -104.31 136.9 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 124.34 1.056 . . . . 74.43 110.25 173.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.504 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 44.2 t -96.24 148.47 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.288 0.635 . . . . 73.13 109.818 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.7 m -136.51 133.63 36.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.931 -0.481 . . . . 74.11 111.244 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.46 164.16 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.722 0.809 . . . . 73.04 110.059 173.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -134.27 149.16 50.9 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.918 0.487 . . . . 63.22 111.645 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.7 -121.23 0.64 Allowed Glycine 0 CA--C 1.533 1.17 0 CA-C-N 115.741 -0.663 . . . . 63.43 112.196 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 30' ' ' ASP . 23.6 tptm -157.49 149.11 22.02 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 117.67 0.735 . . . . 64.24 111.616 -174.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.1 p -50.5 -41.99 54.13 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.397 1.079 . . . . 64.14 113.466 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.401 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 16.3 m-20 -64.5 -33.0 74.87 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.41 0.684 . . . . 71.4 112.323 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -103.94 149.92 24.67 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.625 0.726 . . . . 65.13 112.824 -169.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.7 p -106.97 152.91 23.34 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.223 1.009 . . . . 63.13 110.191 173.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 t -128.1 156.74 42.34 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.442 0.697 . . . . 73.11 111.015 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.2 p -110.7 115.51 29.7 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.244 0.618 . . . . 73.41 110.454 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -95.6 130.68 42.38 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.884 0.874 . . . . 73.43 109.931 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -83.59 115.96 22.37 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.363 0.529 . . . . 71.43 110.29 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.423 ' HA ' ' HH ' ' A' ' 9' ' ' TYR . 58.8 t -76.94 116.74 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 C-N-CA 123.237 0.615 . . . . 74.54 110.004 176.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -99.7 116.26 31.38 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.499 0.719 . . . . 62.12 109.722 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.1 mm -86.33 108.28 16.91 Favored Pre-proline 0 CA--C 1.563 1.461 0 C-N-CA 123.208 0.603 . . . . 74.4 110.367 -177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.19 161.59 44.12 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.955 2.436 . . . . 65.13 113.462 -176.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.98 118.63 11.42 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.53 0.732 . . . . 75.53 111.596 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.79 -7.38 67.77 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-N 116.152 -0.476 . . . . 75.13 113.337 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -108.09 137.13 46.6 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.118 0.967 . . . . 75.01 109.681 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -117.05 134.37 54.84 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.686 0.794 . . . . 70.44 110.355 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -64.7 114.1 4.21 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.68 0.392 . . . . 74.24 110.987 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.5 t -97.38 -50.87 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.249 0.62 . . . . 73.33 110.784 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.19 -173.98 38.62 Favored Glycine 0 N--CA 1.472 1.061 0 CA-C-N 116.06 -0.518 . . . . 73.41 113.396 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 m -138.85 142.51 38.63 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.586 0.754 . . . . 73.04 110.626 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -123.07 150.97 42.46 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.892 1.277 . . . . 61.43 109.897 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.72 -76.22 2.13 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 113.622 0.209 . . . . 73.25 113.622 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -86.8 178.18 48.43 Favored Glycine 0 N--CA 1.477 1.416 0 N-CA-C 113.924 0.33 . . . . 64.11 113.924 -176.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.0 t -94.9 107.35 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.682 -0.488 . . . . 74.25 109.682 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.2 p -80.56 148.99 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 CA-C-O 121.117 0.484 . . . . 71.24 111.829 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 t -67.85 160.16 28.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.334 0.654 . . . . 75.21 111.109 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.7 p -56.47 -37.39 70.24 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.882 0.873 . . . . 74.24 113.01 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.64 -18.33 35.75 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.15 0.58 . . . . 72.4 112.514 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.23 16.73 80.44 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 114.065 0.386 . . . . 71.45 114.065 -170.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -79.61 -26.15 41.27 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 122.956 0.502 . . . . 72.23 111.36 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.1 p -141.75 162.9 34.34 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.645 1.178 . . . . 75.02 111.206 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.59 HG13 HG11 ' A' ' 72' ' ' VAL . 69.5 t -132.36 127.08 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 124.236 1.014 . . . . 74.21 110.155 172.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.6 m -78.27 104.91 9.16 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.101 0.56 . . . . 74.41 109.769 170.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.515 HG12 HG23 ' A' ' 72' ' ' VAL . 36.1 mt -98.36 133.86 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.887 0.875 . . . . 74.43 109.19 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.1 m -121.91 131.05 53.82 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.429 -0.582 . . . . 74.13 109.429 173.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -73.44 116.22 13.75 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.694 0.798 . . . . 74.23 111.633 -168.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.671 ' HB2' ' HB3' ' A' ' 69' ' ' SER . . . -148.97 114.64 5.64 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.019 0.528 . . . . 74.11 110.484 177.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.62 3.64 2.33 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 114.157 1.169 . . . . 71.44 114.157 -176.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.36 45.17 1.22 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.716 0.807 . . . . 74.41 111.08 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 57.33 25.18 10.9 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.556 1.542 . . . . 74.43 113.303 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.671 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 44.6 t -101.21 -9.61 21.12 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.258 0.623 . . . . 73.55 111.374 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.402 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 9.2 p-10 -76.51 -26.36 55.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.035 0.934 . . . . 73.52 112.251 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -84.96 126.51 33.58 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 121.442 0.639 . . . . 74.14 111.746 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.59 HG11 HG13 ' A' ' 60' ' ' VAL . 59.6 t -118.18 120.81 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.882 1.273 . . . . 65.42 109.734 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.92 107.84 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.096 0 C-N-CA 123.125 0.57 . . . . 52.11 110.838 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.9 mm -84.53 142.36 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 109.564 -0.532 . . . . 75.23 109.564 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -111.67 132.49 54.56 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.14 0.576 . . . . 51.51 111.58 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.513 HD13 HG21 ' A' ' 19' ' ' VAL . 98.5 mt -133.05 168.27 18.79 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.932 1.293 . . . . 75.53 110.75 -176.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.604 ' HG3' ' HB2' ' A' ' 13' ' ' ASP . 79.7 tttt -146.17 143.8 29.52 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 120.9 0.381 . . . . 65.32 111.802 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -84.95 124.3 31.51 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.933 0.493 . . . . 74.34 110.411 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.46 135.75 5.77 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 114.072 0.389 . . . . 64.35 114.072 -177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 CA--C 1.565 1.531 0 C-N-CA 123.846 0.858 . . . . 75.11 112.337 171.781 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.561 1.402 0 N-CA-C 108.035 -1.098 . . . . 71.01 108.035 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -91.41 158.29 16.6 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.226 1.01 . . . . 71.2 112.547 -163.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -97.54 162.29 13.37 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.488 0.661 . . . . 63.44 112.493 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.474 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -141.82 117.94 10.67 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 114.63 -1.168 . . . . 74.33 108.171 168.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.9 m -104.52 125.03 50.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.467 0.707 . . . . 74.51 111.698 -169.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.67 126.97 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 123.654 0.782 . . . . 71.11 108.924 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.6 m -131.53 112.09 12.34 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.75 0.309 . . . . 74.44 111.421 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -80.06 128.23 33.25 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.999 0.519 . . . . 75.42 109.701 170.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.96 154.63 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 124.395 1.078 . . . . 72.03 109.554 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -106.29 122.86 47.09 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 121.591 0.71 . . . . 71.21 112.05 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.24 -38.39 26.49 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 126.066 1.746 . . . . 44.33 113.332 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.91 -33.45 75.74 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.759 0.824 . . . . 54.42 112.965 -171.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -113.11 30.69 6.99 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.671 0.788 . . . . 73.33 110.852 -176.173 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.49 28.32 72.52 Favored Glycine 0 CA--C 1.534 1.258 0 N-CA-C 114.977 0.751 . . . . 71.43 114.977 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.49 55.22 2.5 Favored Glycine 0 CA--C 1.534 1.235 0 N-CA-C 114.066 0.386 . . . . 75.52 114.066 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.73 140.0 31.96 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.151 0.475 . . . . 73.31 110.838 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 21' ' ' ASP . 44.3 tt0 -61.45 125.17 22.82 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.981 0.913 . . . . 74.53 113.127 -173.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.6 t -98.7 110.27 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.386 1.074 . . . . 75.53 109.26 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.28 -110.16 3.05 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 112.091 -0.404 . . . . 65.43 112.091 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.557 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 3.5 p30 -149.61 178.65 8.65 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.398 0.618 . . . . 74.14 112.06 175.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.4 mt -92.94 128.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 C-N-CA 123.709 0.804 . . . . 74.42 110.862 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.4 t -100.71 101.85 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.617 0.767 . . . . 73.23 109.478 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -108.25 117.79 35.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 122.01 -0.432 . . . . 73.41 110.262 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.62 156.74 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.482 0.713 . . . . 72.1 111.348 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.2 p -111.65 151.1 29.23 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 122.979 0.512 . . . . 73.14 111.957 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.14 -137.45 2.45 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-N 115.836 -0.62 . . . . 74.35 112.619 -175.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -134.28 149.39 50.92 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.445 0.698 . . . . 74.51 110.497 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.0 p -48.07 -46.41 33.62 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.792 0.837 . . . . 74.42 113.235 172.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.08 -25.64 55.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.465 0.706 . . . . 73.33 112.088 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.89 152.35 21.29 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.587 0.708 . . . . 75.31 112.275 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -138.26 167.5 21.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.288 1.035 . . . . 73.22 110.276 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -148.97 161.08 42.63 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.463 0.705 . . . . 72.2 111.236 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.0 p -111.95 116.01 29.9 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.098 0.559 . . . . 70.2 109.919 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -99.43 123.17 43.47 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.322 1.049 . . . . 74.2 110.106 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -73.42 126.78 30.95 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.006 0.431 . . . . 65.1 110.834 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.62 127.52 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.366 0.666 . . . . 75.22 109.742 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.9 m -110.7 107.65 17.28 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.129 0.972 . . . . 70.3 110.235 -172.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.4 mm -90.74 111.57 48.58 Favored Pre-proline 0 CA--C 1.562 1.44 0 C-N-CA 123.606 0.762 . . . . 74.11 110.474 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.48 162.54 39.81 Favored 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 123.224 2.616 . . . . 71.24 113.491 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.06 128.67 36.72 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.489 0.716 . . . . 74.13 111.511 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.63 6.56 83.03 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 116.116 -0.493 . . . . 74.45 113.759 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.444 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . 82.1 m-85 -119.91 141.66 49.41 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.752 0.821 . . . . 74.3 110.415 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -120.76 123.19 42.05 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.255 1.022 . . . . 72.12 109.669 -173.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' HA ' HD21 ' A' ' 76' ' ' LEU . 70.5 t80 -58.81 129.23 41.13 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.903 0.705 . . . . 75.42 112.903 -176.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.91 -65.71 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 124.064 0.945 . . . . 75.44 110.167 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.72 167.69 40.03 Favored Glycine 0 C--N 1.343 0.952 0 CA-C-N 115.506 -0.77 . . . . 35.32 112.817 -172.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.4 m -118.97 135.37 54.64 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.348 1.059 . . . . 75.53 109.884 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.78 150.68 35.03 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.819 0.848 . . . . 63.21 110.397 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.07 -69.65 1.35 Allowed Glycine 0 CA--C 1.532 1.127 0 CA-C-N 116.356 -0.384 . . . . 72.14 113.424 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.68 -173.78 44.31 Favored Glycine 0 N--CA 1.476 1.365 0 N-CA-C 113.867 0.307 . . . . 70.23 113.867 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -102.28 112.25 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 C-N-CA 123.176 0.59 . . . . 75.13 109.531 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.401 HG22 ' OH ' ' A' ' 45' ' ' TYR . 9.9 p -84.51 154.67 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-O 121.395 0.616 . . . . 63.44 111.608 -175.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.7 t -63.27 160.07 16.54 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.862 1.265 . . . . 74.02 112.167 172.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.4 m -67.57 -33.9 75.96 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.392 0.677 . . . . 74.43 111.251 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.59 -13.26 43.3 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.698 0.799 . . . . 73.45 111.789 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.93 23.64 77.48 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-N 116.542 -0.299 . . . . 64.2 113.214 -172.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -79.4 -25.1 42.17 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.237 0.615 . . . . 71.53 112.18 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 t -151.49 172.34 16.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.696 0.798 . . . . 74.34 110.919 -175.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 p -147.13 127.88 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 124.161 0.985 . . . . 73.35 110.525 177.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -79.79 107.92 12.95 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.134 0.573 . . . . 72.02 109.869 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 72' ' ' VAL . 30.0 mt -112.8 133.44 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.378 1.071 . . . . 73.14 110.677 -177.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.4 m -113.82 143.51 44.54 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.188 0.595 . . . . 61.2 110.328 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -78.63 139.91 38.49 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.562 0.745 . . . . 74.25 110.804 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.05 140.2 32.52 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.099 0.407 . . . . 72.25 112.099 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.79 -17.85 58.78 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.164 0.586 . . . . 72.41 110.895 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -93.08 179.61 5.38 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.893 0.877 . . . . 63.43 109.628 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -83.85 28.76 0.57 Allowed 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 123.425 0.69 . . . . 73.13 111.891 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -90.03 -3.38 58.0 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.333 1.053 . . . . 74.14 111.937 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.474 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 9.8 p-10 -81.33 -40.57 23.37 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.418 1.087 . . . . 72.51 113.536 -175.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -66.44 121.4 15.22 Favored 'General case' 0 CA--C 1.557 1.214 0 N-CA-C 113.848 1.055 . . . . 75.53 113.848 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 62' ' ' ILE . 76.0 t -110.05 125.01 67.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 125.428 1.491 . . . . 72.11 110.175 175.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.92 120.24 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.344 0.658 . . . . 74.14 111.072 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.0 mm -92.74 137.47 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 124.043 0.937 . . . . 71.51 109.45 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -116.0 139.54 50.16 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 123.459 0.704 . . . . 75.22 111.168 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.444 ' HB3' ' HB3' ' A' ' 43' ' ' TYR . 40.7 mt -139.16 139.07 37.48 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 123.936 0.894 . . . . 65.54 111.897 -175.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -93.36 159.32 15.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.721 -1.237 . . . . 74.23 110.047 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -84.12 149.98 25.84 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 122.057 -0.402 . . . . 73.24 110.932 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.87 96.9 1.92 Allowed Glycine 0 CA--C 1.532 1.105 0 CA-C-N 116.028 -0.533 . . . . 71.41 112.066 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 CA--C 1.557 1.244 0 C-N-CA 123.151 0.581 . . . . 73.34 110.617 179.211 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 108.468 -0.938 . . . . 74.13 108.468 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -92.25 140.56 29.49 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.911 -0.493 . . . . 73.42 110.629 -168.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -117.38 155.06 30.25 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.217 0.607 . . . . 62.5 111.665 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.87 133.11 39.34 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.966 0.907 . . . . 65.44 109.611 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.5 p -112.54 136.14 52.42 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.175 0.59 . . . . 61.34 111.487 -169.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.04 115.2 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 123.614 0.766 . . . . 73.33 109.413 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.3 m -112.94 112.88 24.67 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.322 0.649 . . . . 72.13 110.806 -176.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -78.88 136.59 37.34 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.274 0.63 . . . . 74.41 109.951 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.0 145.29 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 C-N-CA 123.712 0.805 . . . . 72.54 111.103 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -106.65 127.12 53.09 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.445 0.698 . . . . 74.55 111.492 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.66 -38.39 89.21 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.566 1.147 . . . . 64.24 112.002 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -78.76 0.71 25.78 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.402 0.681 . . . . 74.21 112.582 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.88 18.29 14.04 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 123.303 0.641 . . . . 73.15 109.953 172.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.87 37.55 60.84 Favored Glycine 0 C--N 1.354 1.554 0 N-CA-C 114.214 0.446 . . . . 63.03 114.214 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.09 32.26 69.32 Favored Glycine 0 CA--C 1.54 1.633 0 N-CA-C 113.67 0.228 . . . . 71.0 113.67 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.65 147.39 27.72 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.184 0.594 . . . . 64.52 111.974 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.444 HE21 ' HA ' ' A' ' 21' ' ' ASP . 49.7 tt0 -61.28 125.05 22.37 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 123.462 0.705 . . . . 73.31 112.683 -175.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.2 t -92.12 110.35 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.994 0.918 . . . . 75.02 109.357 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.72 -104.01 1.46 Allowed Glycine 0 CA--C 1.535 1.329 0 CA-C-N 116.247 -0.433 . . . . 72.11 113.334 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.444 ' HA ' HE21 ' A' ' 18' ' ' GLN . 38.9 t70 -149.98 155.72 40.45 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 123.161 0.584 . . . . 75.21 111.383 -172.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.32 139.86 17.42 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 C-N-CA 124.077 0.951 . . . . 74.14 111.044 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG21 ' HH ' ' A' ' 35' ' ' TYR . 46.3 t -104.74 102.8 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.194 0.998 . . . . 75.33 110.276 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.9 m -94.85 137.99 33.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.87 -0.519 . . . . 73.0 110.95 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -124.09 139.89 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.907 0.883 . . . . 64.22 110.097 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -121.19 136.12 55.03 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 123.006 0.522 . . . . 75.04 111.608 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.31 -133.5 1.63 Allowed Glycine 0 CA--C 1.536 1.378 0 CA-C-N 115.559 -0.746 . . . . 75.44 111.882 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -135.87 151.52 50.1 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 117.842 0.821 . . . . 73.14 111.155 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.3 m -57.91 -29.82 65.4 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.029 0.932 . . . . 73.34 113.124 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.62 -33.12 73.38 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.748 0.819 . . . . 62.21 112.771 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -115.19 153.47 30.77 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.522 0.729 . . . . 75.34 111.889 -177.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 p -115.88 148.65 39.75 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.803 0.841 . . . . 63.23 111.178 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -116.03 138.42 51.24 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.182 0.993 . . . . 62.51 110.513 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -102.42 109.1 20.64 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.84 -0.538 . . . . 75.21 109.725 176.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.482 ' HH ' HG21 ' A' ' 23' ' ' VAL . 64.5 t80 -91.36 133.18 35.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.838 0.855 . . . . 74.23 110.837 -175.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -83.67 124.02 30.41 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.167 0.587 . . . . 72.55 110.871 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.0 t -76.53 126.91 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 123.407 0.683 . . . . 71.41 110.552 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 m -113.52 106.03 14.07 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.133 0.973 . . . . 70.04 109.976 -172.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.5 mm -91.64 111.33 48.79 Favored Pre-proline 0 CA--C 1.563 1.466 0 C-N-CA 122.959 0.504 . . . . 64.55 110.887 -175.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.66 163.67 36.76 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.812 2.341 . . . . 73.24 114.098 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.77 131.47 48.97 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.072 0.949 . . . . 71.5 112.352 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.533 ' HA2' ' HB3' ' A' ' 80' ' ' LEU . . . 96.04 -21.36 45.52 Favored Glycine 0 C--N 1.349 1.285 0 CA-C-N 116.195 -0.457 . . . . 71.35 112.9 -177.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -108.97 164.15 12.66 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.691 0.796 . . . . 73.14 111.037 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' HB2' ' HA3' ' A' ' 79' ' ' GLY . 3.9 tm-20 -149.92 141.88 23.86 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.939 0.896 . . . . 71.34 109.196 -172.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -71.28 130.24 40.9 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 113.254 0.835 . . . . 74.34 113.254 -172.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.48 -62.72 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 123.423 0.689 . . . . 74.51 110.603 172.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.32 -173.97 37.38 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 116.03 -0.532 . . . . 74.33 113.176 -171.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.613 HG23 HG13 ' A' ' 72' ' ' VAL . 12.8 m -134.16 138.81 45.43 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.96 0.904 . . . . 72.21 110.76 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.483 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 32.1 t70 -123.07 102.98 8.29 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.522 0.729 . . . . 75.34 110.02 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.71 147.7 12.65 Favored Glycine 0 N--CA 1.48 1.608 0 CA-C-O 119.899 -0.39 . . . . 73.31 112.272 -172.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.47 -163.98 52.85 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 117.368 0.584 . . . . 72.54 113.964 -176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.24 107.74 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 123.551 0.74 . . . . 74.35 109.595 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 60' ' ' VAL . 12.3 p -87.63 151.65 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 CA-C-O 121.229 0.538 . . . . 74.13 112.131 -176.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 t -69.74 150.47 46.9 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.904 0.882 . . . . 72.02 110.614 169.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.9 m -61.15 -29.48 69.81 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.327 0.651 . . . . 75.14 111.983 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 58' ' ' LYS . 4.2 m-20 -82.47 -18.39 41.89 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.929 0.892 . . . . 75.44 111.873 178.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.13 22.55 78.5 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 113.736 0.254 . . . . 75.15 113.736 -173.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HG2' ' HB2' ' A' ' 56' ' ' ASP . 11.3 ptmm? -82.62 -34.97 27.4 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.879 0.872 . . . . 74.35 112.29 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 p -145.34 148.33 33.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.446 1.098 . . . . 73.0 110.634 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 53' ' ' VAL . 47.1 t -124.27 123.15 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.601 0.76 . . . . 74.34 109.642 174.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.7 m -71.64 110.41 6.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.229 0.612 . . . . 73.21 110.062 169.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.403 HG12 HG23 ' A' ' 72' ' ' VAL . 45.8 mt -113.94 146.26 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.437 1.095 . . . . 75.32 109.465 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.6 m -122.13 144.16 49.11 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 109.021 -0.733 . . . . 74.24 109.021 172.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -68.54 113.33 5.98 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 120.946 0.403 . . . . 75.34 110.973 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.56 141.33 47.66 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.395 0.678 . . . . 72.33 111.166 -171.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.18 17.94 1.52 Allowed 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 112.765 0.654 . . . . 73.44 112.765 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -149.97 -173.14 4.34 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.101 0.96 . . . . 71.25 111.111 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -83.03 -0.08 47.24 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 114.56 1.319 . . . . 64.45 114.56 -171.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -55.16 -37.84 67.52 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 112.737 0.643 . . . . 75.22 112.737 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -118.58 5.79 11.66 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.773 0.829 . . . . 72.24 112.066 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -75.63 102.81 5.48 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.666 -0.865 . . . . 72.53 108.666 167.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.613 HG13 HG23 ' A' ' 48' ' ' THR . 74.9 t -87.86 119.73 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 123.969 0.908 . . . . 74.3 111.147 -167.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.483 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 55.6 t -101.92 106.37 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 108.994 -0.743 . . . . 73.11 108.994 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 mm -84.21 111.3 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.716 -0.846 . . . . 74.43 108.716 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -85.1 131.71 34.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.817 0.447 . . . . 74.14 110.01 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.7 mt -126.06 167.83 14.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.546 1.138 . . . . 74.03 109.838 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -151.54 167.22 28.73 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.201 1.0 . . . . 74.02 108.87 171.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -72.39 115.58 11.81 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 121.116 0.484 . . . . 72.25 111.129 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.428 ' HA3' ' HB2' ' A' ' 44' ' ' GLU . . . -116.06 12.08 17.27 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 115.518 -0.765 . . . . 65.04 111.561 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.533 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . 59.2 tp . . . . . 0 CA--C 1.552 1.037 0 C-N-CA 125.334 1.453 . . . . 73.1 108.564 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.751 -0.463 . . . . 73.23 109.751 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -97.53 152.99 18.45 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.249 0.547 . . . . 72.0 111.844 -173.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.447 ' HB3' HG22 ' A' ' 26' ' ' THR . 0.6 OUTLIER -115.2 165.08 13.32 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.709 0.803 . . . . 73.22 112.04 -178.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.21 131.56 20.86 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.642 1.177 . . . . 75.55 109.794 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 p -101.88 146.83 27.29 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.15 0.58 . . . . 74.42 111.449 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.478 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.8 mp -116.33 118.13 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 108.699 -0.852 . . . . 72.44 108.699 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -110.09 108.53 18.75 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.102 0.961 . . . . 71.21 110.771 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.69 131.48 37.73 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.817 0.447 . . . . 74.54 110.196 171.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -131.08 157.93 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.852 0.861 . . . . 72.14 110.937 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -116.91 98.49 6.52 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.88 0.872 . . . . 70.22 109.421 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.15 -20.99 63.34 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.355 1.462 . . . . 71.33 113.195 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.35 -29.06 69.66 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.791 0.836 . . . . 75.32 110.943 173.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -119.37 30.72 6.96 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.094 0.958 . . . . 73.13 110.816 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.43 40.67 91.35 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.854 -0.612 . . . . 62.5 114.503 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.42 46.01 7.12 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 114.346 0.498 . . . . 74.44 114.346 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.57 125.36 29.09 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.302 0.641 . . . . 72.24 111.2 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.16 124.79 21.35 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.287 0.565 . . . . 75.11 112.183 -173.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.4 t -100.54 112.96 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 123.657 0.783 . . . . 73.51 110.052 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.72 -110.36 3.05 Favored Glycine 0 CA--C 1.54 1.644 0 N-CA-C 114.111 0.405 . . . . 54.25 114.111 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -143.54 157.93 44.05 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.368 0.667 . . . . 74.1 111.611 -171.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.3 mm -85.25 135.21 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.744 0.817 . . . . 71.33 110.63 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.478 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 35.3 t -104.31 105.03 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.142 0.577 . . . . 63.33 110.957 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 m -92.0 127.08 37.34 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 122.069 -0.394 . . . . 74.51 110.331 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.3 m -123.16 144.96 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.045 0.938 . . . . 72.5 109.987 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.447 HG22 ' HB3' ' A' ' 4' ' ' ASP . 22.3 p -112.05 151.36 29.45 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 123.099 0.56 . . . . 71.12 112.297 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.88 -134.08 2.34 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 115.796 -0.638 . . . . 50.03 113.62 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -133.28 138.93 46.64 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 122.22 -0.577 . . . . 75.33 111.273 -166.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 m -43.37 -51.33 6.48 Favored 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 125.224 1.409 . . . . 74.54 113.673 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -76.32 -32.52 58.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.278 0.631 . . . . 74.12 112.487 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -83.86 146.28 28.17 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.759 0.651 . . . . 72.01 112.759 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 p -107.2 138.01 44.2 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.515 -0.766 . . . . 72.33 109.75 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 61' ' ' THR . 14.3 t -97.72 161.48 13.74 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 123.84 0.856 . . . . 73.11 111.108 175.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.608 HG21 HG22 ' A' ' 61' ' ' THR . 58.6 p -111.6 111.78 23.02 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 121.2 0.524 . . . . 71.13 110.07 174.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.416 ' HH ' HG21 ' A' ' 23' ' ' VAL . 47.7 t80 -109.83 126.35 53.72 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.662 0.785 . . . . 74.44 109.074 171.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -80.25 135.53 36.27 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.849 0.357 . . . . 75.32 110.892 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.6 t -75.26 126.52 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 C-N-CA 123.586 0.754 . . . . 74.03 110.133 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 m -105.24 105.47 15.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.868 0.867 . . . . 65.22 108.917 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.3 mm -86.71 113.7 54.32 Favored Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 123.391 0.676 . . . . 64.23 110.558 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -75.96 156.09 38.72 Favored 'Trans proline' 0 C--N 1.372 1.788 0 C-N-CA 122.355 2.036 . . . . 72.11 112.602 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.8 136.29 56.73 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.425 0.69 . . . . 71.41 111.297 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.84 -25.53 23.1 Favored Glycine 0 N--CA 1.478 1.473 0 CA-C-N 116.462 -0.335 . . . . 71.14 113.472 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -100.05 144.66 28.83 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.667 0.787 . . . . 70.25 110.051 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.3 133.07 52.76 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.74 0.816 . . . . 75.03 109.542 -173.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -67.64 116.79 8.75 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.29 1.036 . . . . 73.31 112.626 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.699 HG23 ' HD2' ' A' ' 77' ' ' LYS . 48.7 t -81.55 -55.38 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-O 121.628 0.728 . . . . 75.13 109.461 173.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.59 -170.55 42.31 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 114.782 -1.099 . . . . 72.43 112.436 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.5 m -126.3 134.02 51.24 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.64 0.776 . . . . 75.41 110.739 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -121.34 121.1 36.91 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.962 0.905 . . . . 62.53 109.242 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.39 148.99 23.8 Favored Glycine 0 N--CA 1.479 1.539 0 N-CA-C 112.223 -0.351 . . . . 64.12 112.223 -172.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.31 -155.72 46.24 Favored Glycine 0 CA--C 1.535 1.327 0 CA-C-N 117.066 0.433 . . . . 65.23 113.218 -174.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.5 t -125.63 108.79 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.752 -0.833 . . . . 74.41 108.752 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -75.11 144.49 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 O-C-N 122.136 -0.352 . . . . 75.35 110.415 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.5 t -58.28 155.27 11.86 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.857 0.863 . . . . 71.33 112.212 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.5 p -64.39 -24.73 67.74 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.19 0.596 . . . . 71.51 111.643 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.36 -19.43 42.75 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.778 0.831 . . . . 73.14 111.771 175.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.34 3.07 56.49 Favored Glycine 0 CA--C 1.542 1.732 0 CA-C-N 116.431 -0.349 . . . . 71.43 113.846 -172.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -79.2 -37.36 38.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.618 0.767 . . . . 74.04 111.894 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.5 p -121.42 162.77 19.85 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.48 0.712 . . . . 64.43 110.597 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.496 HG13 HG13 ' A' ' 72' ' ' VAL . 68.0 t -128.96 132.36 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.142 0.977 . . . . 75.23 108.944 171.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.608 HG22 HG21 ' A' ' 34' ' ' THR . 69.9 p -93.27 106.47 18.43 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 122.683 0.393 . . . . 73.52 110.069 172.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 mp -99.8 129.1 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.999 0.52 . . . . 73.54 109.998 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.4 m -99.79 138.9 36.23 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.687 -0.486 . . . . 75.02 109.687 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -82.03 137.35 35.1 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.49 0.716 . . . . 75.02 112.453 -168.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.47 147.62 41.59 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.66 0.784 . . . . 73.32 111.135 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.04 -23.23 60.56 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.429 0.692 . . . . 63.44 111.632 173.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -85.27 172.43 11.14 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.944 0.898 . . . . 75.54 111.338 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.88 26.05 0.53 Allowed 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 124.029 0.932 . . . . 72.24 111.958 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.0 m -93.21 -9.1 40.43 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.073 0.949 . . . . 63.21 111.232 168.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.16 -38.79 90.35 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.77 1.228 . . . . 64.33 112.56 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -75.9 130.04 37.89 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.898 -1.046 . . . . 73.52 113.661 -166.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG13 HG13 ' A' ' 60' ' ' VAL . 73.1 t -100.94 128.75 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 114.83 -1.077 . . . . 75.44 110.083 177.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.7 t -94.99 107.63 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.684 0.794 . . . . 74.12 109.614 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.0 mm -86.75 115.66 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.967 -0.753 . . . . 75.31 108.967 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -89.84 132.28 35.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.449 0.7 . . . . 74.22 111.755 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.6 mt -130.93 166.22 21.42 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.868 1.267 . . . . 74.15 109.621 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.699 ' HD2' HG23 ' A' ' 46' ' ' VAL . 13.6 ptmm? -157.63 150.78 23.38 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.898 0.479 . . . . 73.33 109.845 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -72.96 120.95 19.29 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 122.049 -0.407 . . . . 75.43 110.406 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -168.85 141.7 6.91 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 119.411 -0.66 . . . . 75.1 112.589 -174.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.6 tp . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 122.426 1.108 . . . . 63.33 108.991 -171.678 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 CA--C 1.554 1.133 0 CA-C-O 121.235 0.541 . . . . 74.11 110.816 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.403 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 16.5 mm-40 -91.89 163.68 13.94 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.938 0.895 . . . . 63.41 111.214 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -121.97 141.92 50.84 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.473 0.709 . . . . 75.23 111.255 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.45 138.05 51.21 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.384 1.074 . . . . 73.13 110.766 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -115.11 129.12 56.6 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.438 0.695 . . . . 65.4 111.685 -174.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.43 HD11 ' HB ' ' A' ' 72' ' ' VAL . 25.4 mm -94.0 113.04 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.568 -0.901 . . . . 75.01 108.568 172.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.5 m -110.41 102.08 10.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.22 1.008 . . . . 54.2 110.247 -171.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -77.28 120.24 22.04 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.494 -0.558 . . . . 73.03 109.494 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.459 ' HB ' ' HA2' ' A' ' 16' ' ' GLY . 27.4 m -119.45 144.28 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.191 0.597 . . . . 73.33 110.807 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.47 90.1 5.06 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.615 -0.883 . . . . 72.0 108.615 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.15 -31.24 67.03 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.978 1.311 . . . . 71.23 111.744 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.522 ' HB2' ' HA ' ' A' ' 77' ' ' LYS . 13.8 t70 -64.56 -22.4 66.96 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.907 0.883 . . . . 74.24 111.319 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -113.86 23.08 13.36 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.228 1.011 . . . . 74.21 110.735 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.58 26.16 70.71 Favored Glycine 0 N--CA 1.482 1.761 0 N-CA-C 115.193 0.837 . . . . 72.44 115.193 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.459 ' HA2' ' HB ' ' A' ' 10' ' ' VAL . . . 94.74 101.38 1.75 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 122.799 0.238 . . . . 52.43 113.35 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.41 132.99 19.8 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.778 0.831 . . . . 74.04 109.896 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -63.22 117.27 6.33 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.57 0.7 . . . . 74.41 112.399 -173.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.3 t -124.27 144.84 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 125.108 1.363 . . . . 74.12 109.586 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.56 -113.37 4.8 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 114.466 0.547 . . . . 72.33 114.466 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -121.78 146.32 47.18 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 113.173 0.805 . . . . 73.15 113.173 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mt -96.76 111.61 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 108.149 -1.056 . . . . 74.35 108.149 162.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.447 HG23 ' HH ' ' A' ' 35' ' ' TYR . 48.5 t -100.39 102.26 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-O 120.782 0.325 . . . . 74.43 110.559 -174.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -96.63 112.27 24.08 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.087 0.555 . . . . 72.54 110.666 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.34 152.79 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.416 0.686 . . . . 74.03 110.13 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -123.61 147.2 47.57 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 122.812 0.445 . . . . 73.24 111.878 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.16 171.23 36.91 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 116.084 -0.507 . . . . 75.54 112.309 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -92.67 160.81 14.82 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 117.496 0.648 . . . . 75.25 109.743 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.6 t -55.0 -28.14 49.61 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 114.916 1.45 . . . . 74.25 114.916 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.43 -28.08 61.79 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.682 0.793 . . . . 52.21 111.551 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -90.28 132.18 35.68 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.725 0.81 . . . . 61.14 111.426 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.7 p -119.37 139.83 51.36 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.7 0.8 . . . . 73.41 109.582 172.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -126.52 162.32 25.91 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.27 1.028 . . . . 74.3 110.179 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -125.65 113.95 18.05 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.116 0.484 . . . . 74.41 110.995 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.447 ' HH ' HG23 ' A' ' 23' ' ' VAL . 68.4 t80 -92.13 136.02 33.52 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.25 1.02 . . . . 72.15 110.288 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.2 m -89.83 118.81 29.69 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.539 0.335 . . . . 71.51 110.141 174.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.5 t -75.3 126.21 35.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 123.95 0.9 . . . . 70.4 110.954 -175.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.2 m -113.04 102.79 10.74 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.549 1.14 . . . . 74.33 109.848 -173.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.616 HD11 HD23 ' A' ' 76' ' ' LEU . 23.4 mm -88.96 118.52 69.32 Favored Pre-proline 0 N--CA 1.484 1.254 0 C-N-CA 122.928 0.491 . . . . 73.0 110.578 -178.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -62.46 135.93 56.21 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.603 2.202 . . . . 70.44 112.29 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -64.96 136.47 56.85 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 122.945 0.498 . . . . 70.12 111.039 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.16 -20.66 39.88 Favored Glycine 0 N--CA 1.478 1.444 0 CA-C-N 116.135 -0.484 . . . . 75.22 112.385 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -107.04 146.47 31.12 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.253 1.021 . . . . 74.41 109.547 175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -111.0 137.48 48.58 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.041 0.448 . . . . 73.4 110.492 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -66.71 107.99 2.33 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.039 0.936 . . . . 75.12 111.195 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.6 t -81.21 -42.66 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-O 121.363 0.601 . . . . 73.44 109.429 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.05 -177.06 38.4 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.163 -0.926 . . . . 64.42 113.344 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.1 m -111.8 141.85 44.91 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.322 1.049 . . . . 61.13 110.437 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -125.96 119.24 27.2 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.854 0.861 . . . . 64.52 109.259 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.53 154.56 31.13 Favored Glycine 0 N--CA 1.482 1.732 0 CA-C-N 117.758 0.254 . . . . 71.05 113.08 -175.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.65 -152.36 49.1 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 117.027 0.413 . . . . 74.42 113.406 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.457 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 91.0 t -128.93 105.74 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 123.3 0.64 . . . . 74.11 109.824 175.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.0 137.35 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 CA-C-O 121.242 0.544 . . . . 54.35 111.264 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.3 t -78.64 169.74 17.77 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.681 0.792 . . . . 73.21 111.583 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.0 p -57.14 -45.46 83.51 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.233 1.013 . . . . 64.42 113.671 -171.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -89.28 -3.23 58.6 Favored 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 123.051 0.54 . . . . 74.22 111.357 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.82 8.72 78.12 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 115.317 0.887 . . . . 71.13 115.317 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -76.97 -27.19 54.67 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.497 0.719 . . . . 74.24 112.813 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.6 p -135.89 141.86 44.62 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.493 0.717 . . . . 71.13 111.721 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 80.7 t -126.78 126.91 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.024 0.93 . . . . 75.22 110.066 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.457 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 68.6 m -75.12 125.67 29.43 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.429 0.691 . . . . 73.15 111.026 174.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.6 mt -101.07 114.93 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 125.049 1.34 . . . . 74.43 108.904 172.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 m -121.57 117.57 27.08 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.232 -0.655 . . . . 73.55 109.232 174.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HB3' ' HB2' ' A' ' 3' ' ' GLU . 56.1 m-85 -69.68 144.01 52.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.688 0.795 . . . . 74.43 111.237 -171.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.62 156.27 36.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.855 0.462 . . . . 63.53 111.904 -177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.13 -20.91 63.22 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.481 0.712 . . . . 61.31 111.855 169.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -97.64 130.37 44.66 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.124 0.969 . . . . 73.44 108.871 167.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -72.78 72.27 1.06 Allowed 'General case' 0 CA--C 1.568 1.654 0 CA-C-O 122.321 1.058 . . . . 74.21 112.54 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.8 m -111.56 5.04 19.17 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.322 1.049 . . . . 72.41 110.635 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.19 -17.66 15.87 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.24 1.416 . . . . 75.32 111.611 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -78.44 108.13 11.58 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.44 0.696 . . . . 74.25 109.296 175.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.43 ' HB ' HD11 ' A' ' 7' ' ' ILE . 66.0 t -101.67 119.04 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.32 0.648 . . . . 73.53 111.291 -171.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.1 t -99.73 111.39 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 C-N-CA 123.935 0.894 . . . . 75.53 110.339 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.1 mm -89.42 116.79 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.258 0.623 . . . . 71.21 109.972 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -89.55 125.25 35.14 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.231 0.613 . . . . 73.22 110.593 -178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.616 HD23 HD11 ' A' ' 39' ' ' ILE . 88.3 mt -126.72 135.91 51.75 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.263 0.625 . . . . 72.43 111.72 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.522 ' HA ' ' HB2' ' A' ' 13' ' ' ASP . 22.1 ptmt -100.62 171.51 7.66 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.285 0.634 . . . . 74.32 110.157 174.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -88.39 145.77 25.61 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.63 -0.508 . . . . 75.5 109.63 170.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.47 174.75 55.04 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 113.975 0.35 . . . . 74.02 113.975 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 N--CA 1.493 1.682 0 C-N-CA 123.761 0.824 . . . . 71.11 110.78 172.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.509 -0.552 . . . . 73.04 109.509 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.555 ' HG3' HG23 ' A' ' 29' ' ' THR . 24.9 mm-40 -85.08 163.88 18.54 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.177 0.991 . . . . 73.4 110.749 -174.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -150.38 166.35 30.34 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 121.176 0.512 . . . . 74.04 112.113 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.07 144.64 31.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.261 1.024 . . . . 74.02 110.271 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.1 p -109.48 142.52 40.38 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.194 0.597 . . . . 74.43 111.442 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.517 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 48.4 mt -123.13 121.28 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 123.988 0.915 . . . . 73.03 110.779 -174.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -122.93 115.9 22.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.29 0.636 . . . . 71.43 110.969 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.09 140.74 34.9 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.994 0.518 . . . . 71.1 109.73 169.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.31 153.05 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.991 0.916 . . . . 74.53 110.106 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -112.33 102.34 10.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.738 0.815 . . . . 75.2 109.783 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.55 -30.15 62.77 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.498 1.519 . . . . 75.33 112.185 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.8 -30.5 71.51 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.803 0.841 . . . . 72.25 111.646 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -110.07 45.15 1.13 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.147 0.979 . . . . 72.34 110.297 175.476 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.48 23.72 68.78 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.376 0.91 . . . . 72.44 115.376 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.75 39.17 6.69 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 116.955 0.378 . . . . 52.35 112.859 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.97 117.67 12.76 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.506 0.722 . . . . 65.42 111.887 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.13 127.71 33.21 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 123.384 0.674 . . . . 74.03 111.956 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -104.2 106.05 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.918 0.887 . . . . 74.23 108.918 -177.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.83 -160.12 48.35 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 116.864 -0.153 . . . . 73.24 112.917 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -106.51 177.03 4.98 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.314 0.646 . . . . 72.12 111.889 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.3 mt -81.05 125.3 39.45 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.329 0 CA-C-N 115.57 -0.741 . . . . 74.03 110.657 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.517 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 51.7 t -101.36 116.65 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.991 0.916 . . . . 75.43 110.173 -175.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 m -99.84 115.1 28.8 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.93 0.492 . . . . 71.4 110.877 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.483 HG23 ' HE1' ' A' ' 64' ' ' PHE . 20.9 m -104.51 141.1 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.243 0.617 . . . . 65.02 110.504 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -109.76 164.83 12.19 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 112.964 0.727 . . . . 75.15 112.964 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.92 -132.75 2.7 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.079 -0.509 . . . . 71.25 113.656 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HG3' ' H ' ' A' ' 30' ' ' ASP . 5.4 tppp? -144.22 150.57 38.18 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.857 0.863 . . . . 74.11 109.901 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.555 HG23 ' HG3' ' A' ' 3' ' ' GLU . 21.2 p -47.28 -28.37 1.93 Allowed 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 114.373 1.249 . . . . 75.4 114.373 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.529 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 36.7 t70 -77.37 -38.9 49.14 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 123.536 0.734 . . . . 75.04 112.724 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.78 164.67 12.13 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 122.015 0.912 . . . . 75.53 112.784 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.4 p -131.57 162.13 31.03 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 114.421 -1.263 . . . . 74.11 111.058 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 t -137.62 161.06 37.47 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.056 0.942 . . . . 74.54 110.868 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.3 p -116.58 110.52 18.65 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.131 0.572 . . . . 73.52 109.958 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -83.21 141.17 32.1 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.066 0.947 . . . . 71.34 111.244 -177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -85.92 111.17 19.98 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.319 0.648 . . . . 70.33 110.198 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.2 t -82.76 110.43 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.399 0.68 . . . . 72.23 109.933 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.9 p -101.77 110.02 21.91 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.491 0.717 . . . . 74.35 110.249 -173.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.1 mm -91.37 114.83 63.01 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 123.954 0.901 . . . . 73.15 109.943 -175.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.41 167.71 23.18 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.701 2.267 . . . . 71.44 114.007 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -60.66 134.26 56.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.1 0.96 . . . . 53.02 112.354 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.35 -3.53 84.45 Favored Glycine 0 CA--C 1.54 1.639 0 CA-C-O 119.668 -0.518 . . . . 70.51 114.197 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -107.16 153.98 21.87 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.601 0.76 . . . . 74.3 111.374 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -128.72 137.28 51.51 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.956 1.302 . . . . 74.32 109.741 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.408 ' OH ' HG21 ' A' ' 53' ' ' VAL . 82.1 t80 -72.96 137.15 45.32 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.857 0.463 . . . . 73.32 111.971 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.05 -62.53 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 123.658 0.783 . . . . 64.05 111.318 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.86 -175.67 46.08 Favored Glycine 0 N--CA 1.482 1.714 0 N-CA-C 114.579 0.592 . . . . 51.11 114.579 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.5 m -132.85 141.4 48.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.103 0.961 . . . . 75.4 111.396 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.17 149.24 36.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.892 0.877 . . . . 65.24 109.77 170.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.0 -65.09 4.17 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 122.866 0.269 . . . . 65.45 113.388 -178.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.26 172.25 53.8 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 113.934 0.334 . . . . 54.1 113.934 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.83 112.11 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 123.858 0.863 . . . . 71.25 110.062 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.408 HG21 ' OH ' ' A' ' 45' ' ' TYR . 10.2 p -108.58 155.17 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.195 0.521 . . . . 73.22 112.149 -173.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p -84.02 157.07 21.96 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.629 0.772 . . . . 73.11 110.51 171.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.7 t -67.07 -23.42 65.86 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.51 0.724 . . . . 60.21 112.174 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.07 -20.72 64.98 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.845 0.683 . . . . 75.11 112.845 173.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.94 17.45 69.6 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 115.589 0.995 . . . . 75.43 115.589 174.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -102.37 -36.68 8.36 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.566 0.746 . . . . 74.33 111.296 177.223 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.7 p -114.07 126.38 55.04 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.234 0.614 . . . . 74.45 111.058 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 5.7 p -119.01 115.39 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.521 0.728 . . . . 75.34 109.675 169.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.8 m -71.68 116.85 12.53 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.333 0.653 . . . . 73.15 111.164 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.5 mt -105.62 121.85 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.687 1.195 . . . . 74.42 109.304 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 m -117.99 106.46 12.94 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.293 -0.632 . . . . 75.43 109.293 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 29' ' ' THR . 49.1 m-85 -54.95 135.9 47.99 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.336 1.054 . . . . 74.31 112.672 -169.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.28 136.14 23.38 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.654 0.382 . . . . 62.24 111.63 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.48 -10.31 57.5 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.469 0.708 . . . . 73.43 112.498 174.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -72.28 -29.26 63.71 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.857 0.863 . . . . 75.44 111.463 173.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 65.21 76.36 0.34 Allowed 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.482 1.113 . . . . 72.15 111.199 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.6 t -152.18 7.79 0.46 Allowed 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 123.892 0.877 . . . . 63.11 111.189 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -107.32 1.1 23.54 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.023 1.329 . . . . 74.43 111.072 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -66.55 137.42 56.76 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.968 1.307 . . . . 72.44 111.021 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 72.1 t -96.87 123.18 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 123.512 0.725 . . . . 72.25 111.775 -171.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.2 104.7 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.344 -0.613 . . . . 73.11 109.344 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.0 mm -85.47 135.97 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.469 0.707 . . . . 74.33 109.872 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -114.8 133.54 55.85 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.515 0.726 . . . . 75.13 110.397 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.3 mt -131.9 155.97 46.94 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.304 1.042 . . . . 72.24 110.834 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -134.95 169.97 16.59 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.062 0.545 . . . . 74.35 110.148 171.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -96.78 135.46 38.7 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 122.205 -0.309 . . . . 72.24 111.114 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.34 -53.35 6.12 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 111.139 -0.785 . . . . 61.41 111.139 174.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.544 ' H ' HD21 ' A' ' 80' ' ' LEU . 2.5 pt? . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 123.984 0.913 . . . . 72.34 109.999 168.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 121.342 0.592 . . . . 75.42 111.298 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -101.27 162.41 12.91 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.28 0.632 . . . . 64.13 111.372 -179.068 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -120.86 167.68 12.27 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.374 0.67 . . . . 74.12 112.228 -174.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.28 135.04 38.64 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.044 0.938 . . . . 71.34 110.045 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -102.28 126.01 49.15 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.61 0.764 . . . . 70.01 110.465 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.612 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mp -106.34 108.82 26.04 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.777 0.831 . . . . 74.41 109.069 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.9 m -121.04 118.13 29.0 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.569 0.748 . . . . 74.31 110.387 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.456 ' HD2' HD13 ' A' ' 76' ' ' LEU . 11.7 m-85 -74.21 144.69 44.62 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.478 0.711 . . . . 63.31 109.25 171.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.8 m -142.32 135.46 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 C-N-CA 123.165 0.586 . . . . 73.31 111.734 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.37 116.1 16.74 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.992 0.517 . . . . 72.43 109.994 165.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.18 -25.22 68.24 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 123.414 0.685 . . . . 62.41 110.508 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.03 -20.2 63.27 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.83 1.252 . . . . 71.43 112.209 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.14 16.68 23.86 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.414 0.686 . . . . 74.42 110.584 -178.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.91 34.97 71.8 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 116.377 -0.374 . . . . 74.4 113.563 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.02 30.38 38.46 Favored Glycine 0 CA--C 1.54 1.625 0 N-CA-C 114.279 0.472 . . . . 63.25 114.279 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.46 155.28 17.33 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.489 0.716 . . . . 62.0 111.52 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.04 138.74 57.4 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 115.554 1.687 . . . . 74.12 115.554 -164.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.39 129.96 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.724 1.21 . . . . 71.32 109.784 167.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.91 -106.05 2.0 Allowed Glycine 0 CA--C 1.535 1.338 0 N-CA-C 114.205 0.442 . . . . 63.43 114.205 170.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -154.45 153.75 32.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.083 0.553 . . . . 74.32 111.333 -173.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt -80.96 137.11 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.641 0.776 . . . . 75.35 110.751 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.612 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 39.6 t -105.9 147.55 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 124.287 1.035 . . . . 73.02 109.026 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -133.7 120.93 21.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.679 -0.638 . . . . 74.4 110.307 175.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.0 m -110.81 142.35 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.208 0.603 . . . . 72.51 110.372 174.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.7 p -121.97 137.78 54.67 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 123.461 0.704 . . . . 72.12 110.997 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.72 -142.63 3.53 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 116.25 -0.432 . . . . 74.25 112.305 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -129.23 144.44 51.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.049 0.54 . . . . 75.44 110.805 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -53.68 -33.34 55.06 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.418 1.266 . . . . 64.52 114.418 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.22 -31.61 71.23 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 123.428 0.691 . . . . 74.44 111.976 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -98.55 162.89 12.9 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.43 0.692 . . . . 71.44 111.688 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.0 p -132.67 155.44 48.77 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.779 0.799 . . . . 53.24 111.215 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 t -132.0 162.11 31.52 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.883 1.273 . . . . 71.32 109.947 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 m -123.96 127.49 48.03 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 120.946 0.403 . . . . 75.23 111.209 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.532 ' HH ' HG23 ' A' ' 23' ' ' VAL . 87.8 t80 -113.64 130.93 56.31 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.346 1.058 . . . . 74.22 109.866 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -89.9 141.2 28.87 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.075 0.464 . . . . 75.44 111.39 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.476 HG21 HD11 ' A' ' 74' ' ' ILE . 61.1 t -77.3 132.68 32.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.195 0.998 . . . . 73.54 109.767 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.9 p -103.13 106.76 17.34 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.836 0.854 . . . . 74.35 109.187 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.8 mm -93.74 109.53 41.85 Favored Pre-proline 0 N--CA 1.482 1.134 0 C-N-CA 123.507 0.723 . . . . 74.32 110.333 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.16 145.58 24.56 Favored 'Trans proline' 0 C--N 1.373 1.82 0 C-N-CA 122.172 1.915 . . . . 74.44 112.589 174.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.88 115.51 3.75 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.672 0.789 . . . . 71.51 110.849 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.92 -21.89 9.37 Favored Glycine 0 N--CA 1.479 1.534 0 C-N-CA 123.251 0.453 . . . . 74.45 112.135 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -108.98 157.91 18.21 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.444 1.098 . . . . 75.51 109.497 172.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.56 143.49 37.37 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 109.267 -0.642 . . . . 73.23 109.267 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -71.09 131.38 43.52 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.762 0.825 . . . . 72.44 112.952 -173.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.0 t -101.77 -60.84 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.617 0.767 . . . . 73.24 110.382 171.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.06 -164.82 29.73 Favored Glycine 0 N--CA 1.475 1.249 0 CA-C-N 116.513 -0.312 . . . . 64.22 113.332 -173.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -147.99 141.08 24.97 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.053 0.941 . . . . 73.34 110.595 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -121.52 151.33 40.42 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.792 1.237 . . . . 64.53 110.328 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.44 -68.7 3.48 Favored Glycine 0 N--CA 1.477 1.376 0 N-CA-C 113.886 0.315 . . . . 70.43 113.886 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.542 ' HA3' HG21 ' A' ' 72' ' ' VAL . . . -76.72 153.55 42.44 Favored Glycine 0 CA--C 1.536 1.403 0 CA-C-O 119.928 -0.373 . . . . 52.3 112.222 175.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.95 107.24 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 117.231 0.516 . . . . 73.34 110.224 -173.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.5 p -91.62 147.1 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 C-N-CA 123.426 0.69 . . . . 73.31 111.684 -174.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.8 p -73.2 172.65 10.72 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.718 0.807 . . . . 73.31 112.388 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.0 t -65.62 -33.64 76.38 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.74 0.816 . . . . 62.23 112.035 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.18 -18.04 35.32 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.493 0.717 . . . . 72.01 111.839 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.69 -20.96 28.75 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 115.145 0.818 . . . . 73.04 115.145 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -67.16 -42.86 83.6 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 117.505 0.652 . . . . 74.11 112.117 -174.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.1 p -106.19 121.75 44.82 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.004 0.522 . . . . 73.44 111.318 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.55 114.04 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.123 0.969 . . . . 74.33 109.762 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.1 m -82.99 112.12 19.47 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.438 0.637 . . . . 63.42 110.485 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 mt -93.12 123.51 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 C-N-CA 124.469 1.108 . . . . 73.31 109.986 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.1 m -122.62 111.06 16.31 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 109.597 -0.52 . . . . 75.24 109.597 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.538 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 53.9 m-85 -58.43 156.76 9.81 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.845 1.258 . . . . 75.51 112.349 -174.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.66 152.51 30.91 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 112.281 0.474 . . . . 73.13 112.281 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.65 -24.79 67.93 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.857 0.863 . . . . 72.24 111.369 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -107.53 107.75 18.74 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.119 0.967 . . . . 73.22 108.693 168.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.494 ' HB2' HD22 ' A' ' 71' ' ' ASN . 5.2 p-10 -70.5 91.98 0.81 Allowed 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 122.114 0.959 . . . . 65.41 113.505 -168.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 t -125.96 12.59 7.82 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.526 1.131 . . . . 65.31 109.536 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -105.98 -4.66 20.3 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.2 1.4 . . . . 75.13 112.419 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.494 HD22 ' HB2' ' A' ' 68' ' ' ASP . 36.4 m-80 -66.27 132.82 49.27 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.379 0.671 . . . . 75.35 110.525 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.542 HG21 ' HA3' ' A' ' 51' ' ' GLY . 64.0 t -99.57 119.32 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.316 0.647 . . . . 74.33 110.887 -171.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.9 t -111.37 99.94 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.717 0.807 . . . . 62.02 108.969 175.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.476 HD11 HG21 ' A' ' 37' ' ' VAL . 68.6 mt -85.53 115.34 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.846 0.458 . . . . 75.33 110.149 -175.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -85.43 131.23 34.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.653 0.781 . . . . 74.33 111.351 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.456 HD13 ' HD2' ' A' ' 9' ' ' TYR . 86.5 mt -133.89 148.62 51.27 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.68 1.192 . . . . 74.44 110.732 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -112.95 172.41 6.95 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.591 0.757 . . . . 72.14 109.487 167.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -85.59 129.62 34.78 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.915 -0.772 . . . . 75.53 108.915 165.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.28 -115.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.698 -0.501 . . . . 75.1 112.471 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 N--CA 1.489 1.481 0 C-N-CA 124.145 0.978 . . . . 55.33 111.847 -179.01 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 109.304 -0.628 . . . . 71.34 109.304 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -87.35 140.02 29.97 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.199 -0.455 . . . . 75.43 111.54 -160.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -116.7 131.66 56.89 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.12 0.568 . . . . 63.51 111.081 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.77 130.37 56.82 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.981 0.912 . . . . 64.3 109.345 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.4 t -111.85 139.59 47.21 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.291 0.567 . . . . 72.1 111.725 -173.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.66 109.76 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 123.933 0.893 . . . . 72.14 109.233 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -101.67 112.33 24.88 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.257 1.023 . . . . 73.4 110.644 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -82.86 120.54 25.78 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.637 0.375 . . . . 73.32 110.158 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.8 m -123.06 150.95 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-O 121.859 0.837 . . . . 75.51 111.358 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -93.41 97.84 10.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.793 1.237 . . . . 74.53 108.054 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.41 -27.91 68.88 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.33 1.052 . . . . 70.32 112.624 -173.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -86.8 -8.71 57.09 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.417 0.687 . . . . 71.41 112.774 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -114.49 39.68 2.74 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.56 0.695 . . . . 74.24 109.949 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.08 23.81 68.16 Favored Glycine 0 N--CA 1.483 1.777 0 N-CA-C 114.951 0.74 . . . . 74.14 114.951 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.02 41.73 26.59 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-O 120.155 -0.247 . . . . 71.51 113.458 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.44 133.84 39.73 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.298 0.639 . . . . 75.45 112.009 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -60.5 124.24 19.77 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.043 0.449 . . . . 75.14 112.033 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.69 106.4 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 124.451 1.1 . . . . 75.23 109.626 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.46 -109.49 2.86 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 116.694 -0.23 . . . . 71.01 113.438 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -137.69 165.33 26.65 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.788 0.835 . . . . 73.35 111.485 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.6 mt -95.39 140.96 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.945 0.898 . . . . 52.32 111.355 -174.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -103.18 101.77 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.302 0.641 . . . . 72.14 110.621 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.4 m -99.64 134.43 42.54 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 122.897 0.479 . . . . 65.41 110.59 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.3 m -123.54 151.24 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 123.739 0.816 . . . . 71.21 110.794 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.2 p -112.36 155.99 23.22 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.454 0.702 . . . . 62.13 111.709 -177.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.96 -126.67 1.1 Allowed Glycine 0 C--N 1.343 0.962 0 CA-C-N 115.625 -0.716 . . . . 74.01 111.754 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -159.16 150.86 20.56 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 117.382 0.591 . . . . 73.51 109.663 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.485 HG23 ' HA ' ' A' ' 65' ' ' ALA . 49.6 p -51.16 -39.68 56.9 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 114.232 1.197 . . . . 74.32 114.232 -176.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.62 -29.51 64.75 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.515 0.726 . . . . 72.11 111.548 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.89 157.22 19.57 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.016 0.926 . . . . 75.11 112.106 -176.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.6 p -145.7 159.02 43.77 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 115.385 -0.825 . . . . 74.24 111.081 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -150.26 162.0 41.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.878 0.871 . . . . 71.11 111.183 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.2 p -104.04 125.83 50.69 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.448 0.699 . . . . 74.04 110.053 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -113.22 128.29 56.43 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.064 0.946 . . . . 72.32 109.925 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 m -84.24 131.17 34.77 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 110.307 -0.257 . . . . 74.24 110.307 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.24 134.76 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.849 0.86 . . . . 72.43 110.893 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m -110.29 115.99 30.67 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.907 0.883 . . . . 74.1 110.279 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.7 mm -99.95 114.96 65.91 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 123.315 0.646 . . . . 75.12 110.045 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.32 159.72 50.97 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.254 1.969 . . . . 73.52 113.186 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.84 138.77 58.58 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.316 0.646 . . . . 74.13 111.316 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.85 -0.04 89.87 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 115.881 -0.6 . . . . 63.41 113.51 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -113.49 160.61 18.29 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.818 0.847 . . . . 75.11 111.457 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 77' ' ' LYS . 37.8 mt-10 -127.57 157.09 41.11 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.839 1.256 . . . . 74.13 109.266 176.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -82.63 130.2 35.08 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 118.097 0.408 . . . . 72.11 111.274 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.55 HG22 ' HG3' ' A' ' 77' ' ' LYS . 69.9 t -99.21 -65.16 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 123.409 0.683 . . . . 73.44 110.592 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.78 168.22 40.06 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 115.837 -0.62 . . . . 71.44 113.554 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.486 HG22 HG13 ' A' ' 72' ' ' VAL . 22.2 m -107.88 132.87 53.0 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.85 0.86 . . . . 60.1 110.895 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.449 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 38.8 t70 -115.3 150.16 36.7 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.96 0.904 . . . . 71.51 110.359 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.77 -72.2 2.87 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 122.606 0.146 . . . . 72.35 113.277 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.68 ' HA3' HG22 ' A' ' 72' ' ' VAL . . . -84.22 -173.11 49.61 Favored Glycine 0 N--CA 1.475 1.268 0 N-CA-C 114.332 0.493 . . . . 50.51 114.332 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.488 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 30.8 t -94.57 138.08 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.462 0.705 . . . . 71.51 110.353 -177.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HB ' ' HB ' ' A' ' 48' ' ' THR . 13.9 p -113.41 147.79 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.25 0.62 . . . . 73.43 111.741 -177.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 t -66.51 165.3 14.77 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.881 0.872 . . . . 75.14 112.042 171.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.8 t -61.57 -32.43 72.52 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.886 0.874 . . . . 71.4 111.847 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.45 -19.16 33.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.604 0.762 . . . . 74.24 112.455 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.35 14.4 71.68 Favored Glycine 0 N--CA 1.486 1.986 0 CA-C-O 121.364 0.425 . . . . 42.23 113.173 -165.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -84.84 -43.13 14.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.155 1.382 . . . . 71.25 111.157 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.0 p -123.43 164.72 18.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.197 0.999 . . . . 74.54 110.149 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.0 m -133.56 133.55 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.448 1.099 . . . . 75.45 109.972 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.488 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 50.5 m -78.5 104.41 9.08 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.228 0.611 . . . . 75.14 110.309 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.0 mm -85.84 105.0 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.303 0.641 . . . . 74.44 109.578 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.8 m -117.23 120.59 38.72 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.091 -1.078 . . . . 75.22 108.091 173.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -70.06 148.15 49.15 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.41 0.684 . . . . 73.13 111.264 -171.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.485 ' HA ' HG23 ' A' ' 29' ' ' THR . . . -153.39 155.28 36.09 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.53 0.732 . . . . 64.32 110.446 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.99 32.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 122.81 0.444 . . . . 72.25 111.251 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -132.36 -161.03 1.1 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.421 1.088 . . . . 65.32 110.834 -168.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -105.44 -1.07 25.41 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.116 0.966 . . . . 73.14 111.048 171.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.2 t -77.37 -19.93 55.51 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.316 1.046 . . . . 71.04 112.389 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.86 -21.88 31.85 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.104 0.962 . . . . 74.52 110.925 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -68.52 124.27 23.13 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.822 0.849 . . . . 64.41 109.711 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.68 HG22 ' HA3' ' A' ' 51' ' ' GLY . 96.6 t -111.03 118.82 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.004 0.922 . . . . 71.54 110.17 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 47.8 t -108.09 110.14 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.457 0.703 . . . . 72.0 109.863 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 43.7 mm -89.33 115.22 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.531 0.733 . . . . 75.43 109.962 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -91.66 134.87 34.32 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.265 0.626 . . . . 72.14 109.981 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.5 mt -128.17 138.51 52.52 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.712 0.634 . . . . 75.23 112.712 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.592 ' HZ2' ' HB3' ' A' ' 77' ' ' LYS . 6.7 mtpm? -93.14 172.24 8.43 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.617 0.767 . . . . 75.22 111.006 173.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -100.08 142.78 31.09 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.289 -0.869 . . . . 75.24 110.775 166.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.19 -162.68 29.57 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 111.109 -0.796 . . . . 72.52 111.109 167.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 N--CA 1.484 1.227 0 CA-C-N 117.246 0.523 . . . . 74.31 110.48 173.169 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 108.561 -0.903 . . . . 74.51 108.561 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -84.17 139.88 32.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.365 0.266 . . . . 74.13 111.39 -164.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -116.09 168.2 10.31 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.639 0.607 . . . . 71.42 112.639 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.555 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -148.05 132.36 17.5 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.129 -0.941 . . . . 62.34 110.872 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 71' ' ' ASN . 75.4 p -97.76 135.75 39.09 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.739 0.816 . . . . 73.34 110.692 -175.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.539 ' HB ' HG22 ' A' ' 23' ' ' VAL . 13.0 mt -123.51 118.84 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.115 0.566 . . . . 70.41 109.805 -178.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.4 m -117.39 120.03 36.92 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.32 0.648 . . . . 71.42 111.586 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -84.66 134.26 34.37 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.345 0.658 . . . . 73.44 110.025 171.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.35 136.03 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.872 0.869 . . . . 75.34 110.942 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -77.37 100.47 5.96 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.974 0.51 . . . . 72.34 110.165 168.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.49 ' HB3' ' HD1' ' A' ' 75' ' ' HIS . 8.7 p-10 -66.43 -20.19 65.99 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 121.129 0.49 . . . . 72.23 110.374 171.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -65.2 -28.18 69.2 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 124.828 1.251 . . . . 73.11 111.578 172.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.53 50.38 1.19 Allowed 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 123.456 0.702 . . . . 53.25 110.367 178.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.55 26.65 46.17 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 116.19 1.236 . . . . 72.12 116.19 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.21 39.23 7.44 Favored Glycine 0 N--CA 1.477 1.382 0 C-N-CA 123.091 0.377 . . . . 64.01 113.317 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.01 114.11 9.76 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.532 0.733 . . . . 63.32 111.485 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' A' ' 21' ' ' ASP . 52.6 tt0 -60.12 123.08 16.04 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.104 0.561 . . . . 74.13 111.767 -176.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.523 HG23 HD13 ' A' ' 76' ' ' LEU . 14.4 t -92.29 104.64 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.451 0.7 . . . . 75.22 109.514 -176.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.89 -94.63 0.79 Allowed Glycine 0 CA--C 1.538 1.506 0 CA-C-N 116.309 -0.405 . . . . 75.33 113.329 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.407 ' HA ' HE21 ' A' ' 18' ' ' GLN . 3.8 p-10 -155.68 -178.54 7.36 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.522 0.677 . . . . 73.54 112.797 -170.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.9 mt -105.18 134.16 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 C-N-CA 124.252 1.021 . . . . 74.12 109.937 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.544 HG21 ' HH ' ' A' ' 35' ' ' TYR . 6.8 m -109.96 116.63 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.427 0.691 . . . . 75.44 110.932 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -103.78 108.85 20.34 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.168 0.587 . . . . 70.11 110.695 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 m -97.56 143.26 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 123.039 0.536 . . . . 74.51 110.952 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -113.18 150.97 31.52 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.564 0.697 . . . . 64.11 112.83 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.35 -110.42 0.27 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 115.412 -0.813 . . . . 71.34 111.575 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -161.42 154.68 21.24 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 117.668 0.734 . . . . 75.32 111.455 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.0 p -52.44 -38.45 59.26 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.468 0.914 . . . . 73.32 113.468 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -86.88 16.22 5.1 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 123.981 0.912 . . . . 62.54 111.624 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -134.84 148.97 50.28 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.285 1.034 . . . . 74.11 110.334 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.0 p -133.33 141.38 47.92 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.537 0.735 . . . . 75.1 111.073 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 t -114.3 161.11 18.3 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.755 0.822 . . . . 72.13 111.242 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.5 p -110.53 105.76 14.82 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.548 0.739 . . . . 74.34 109.697 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.544 ' HH ' HG21 ' A' ' 23' ' ' VAL . 76.8 t80 -97.23 129.64 44.54 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.203 1.001 . . . . 73.32 110.031 -178.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.7 m -84.59 136.7 33.67 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.258 0.481 . . . . 73.32 111.026 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.2 t -75.74 130.97 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.056 0 C-N-CA 123.652 0.781 . . . . 74.1 110.266 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.9 p -103.39 120.85 41.59 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.04 0.936 . . . . 73.21 111.085 -177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 45' ' ' TYR . 49.5 mm -95.38 111.42 55.17 Favored Pre-proline 0 CA--C 1.56 1.36 0 C-N-CA 124.009 0.924 . . . . 64.05 111.074 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.615 ' HD2' ' HB2' ' A' ' 43' ' ' TYR . 4.6 Cg_exo -79.29 172.01 15.27 Favored 'Trans proline' 0 CA--C 1.566 2.102 0 C-N-CA 123.359 2.706 . . . . 73.43 113.326 175.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.38 105.97 2.77 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.843 0.857 . . . . 73.12 112.778 -174.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.82 11.92 51.78 Favored Glycine 0 N--CA 1.483 1.778 0 CA-C-N 116.211 -0.45 . . . . 52.02 114.053 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.615 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 45.0 m-85 -120.74 152.14 38.66 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 124.245 1.018 . . . . 62.33 109.906 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -137.44 140.18 41.1 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 123.417 0.687 . . . . 71.42 111.403 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.497 ' HB2' HD11 ' A' ' 39' ' ' ILE . 78.0 t80 -66.66 123.43 20.07 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.214 0.606 . . . . 75.22 112.181 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.4 t -99.01 -58.11 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.531 0.733 . . . . 75.11 111.229 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -170.2 -176.53 39.82 Favored Glycine 0 N--CA 1.476 1.359 0 CA-C-N 116.704 -0.225 . . . . 72.31 113.435 -173.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.1 m -146.65 137.24 23.89 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.898 0.879 . . . . 73.34 111.032 -177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -121.97 152.6 39.54 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.838 1.255 . . . . 72.04 110.139 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.14 -70.71 1.05 Allowed Glycine 0 N--CA 1.476 1.316 0 C-N-CA 122.533 0.111 . . . . 53.33 113.305 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.89 -171.05 47.38 Favored Glycine 0 N--CA 1.478 1.474 0 N-CA-C 113.907 0.323 . . . . 71.44 113.907 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -101.58 117.02 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 123.35 0.66 . . . . 72.35 110.081 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.1 p -87.22 140.07 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-O 120.907 0.384 . . . . 74.22 111.235 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -72.93 167.82 20.23 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.565 0.746 . . . . 72.12 111.986 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.0 p -62.51 -29.72 70.75 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.416 1.087 . . . . 72.34 113.14 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -88.46 -18.35 28.43 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.56 0.578 . . . . 70.45 112.56 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.25 -2.2 57.66 Favored Glycine 0 CA--C 1.545 1.924 0 N-CA-C 114.335 0.494 . . . . 70.55 114.335 -172.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -71.87 -35.65 69.86 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.143 0.977 . . . . 74.12 111.899 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.7 p -123.71 147.87 47.08 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.211 1.004 . . . . 65.5 110.657 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.3 m -125.28 117.49 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 C-N-CA 125.152 1.381 . . . . 75.35 109.561 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.1 m -71.0 113.16 7.75 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.441 0.696 . . . . 65.41 110.414 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 mm -98.79 116.86 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.686 0.795 . . . . 64.31 109.777 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.1 m -103.12 127.73 50.29 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 108.732 -0.84 . . . . 74.45 108.732 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.69 138.03 46.36 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.643 0.777 . . . . 72.31 110.929 -172.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.72 137.62 31.8 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 111.937 0.347 . . . . 72.12 111.937 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.19 -22.96 61.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.228 0.611 . . . . 64.12 110.944 169.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -84.5 173.5 10.79 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.14 0.976 . . . . 74.1 110.649 176.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.14 29.18 0.22 Allowed 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 123.726 0.81 . . . . 62.35 113.095 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.2 t -95.4 -7.83 37.32 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.895 0.878 . . . . 35.03 111.31 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.555 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 7.8 p-10 -75.86 -30.54 58.95 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.088 0.955 . . . . 73.34 111.996 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.8 p30 -73.62 96.58 2.49 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.79 0.805 . . . . 72.14 111.622 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.5 t -93.09 118.98 40.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 124.45 1.1 . . . . 64.21 109.738 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.6 t -99.17 107.25 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.121 0.568 . . . . 75.41 110.55 -175.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.8 mt -91.11 136.18 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.36 0.664 . . . . 71.31 109.285 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.49 ' HD1' ' HB3' ' A' ' 12' ' ' ASP . 43.9 m-70 -109.27 142.85 39.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.11 0.964 . . . . 74.35 111.334 -172.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.523 HD13 HG23 ' A' ' 19' ' ' VAL . 95.6 mt -134.68 160.16 39.01 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.614 1.166 . . . . 74.55 110.808 -178.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -138.22 148.28 44.63 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.763 0.425 . . . . 75.44 111.074 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -78.08 120.47 22.95 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.775 -0.454 . . . . 63.32 109.775 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.17 -111.3 0.51 Allowed Glycine 0 C--N 1.347 1.187 0 CA-C-N 116.739 -0.21 . . . . 62.21 112.875 -175.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 108.03 -1.1 . . . . 75.01 108.03 169.795 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 CA--C 1.555 1.141 0 N-CA-C 109.752 -0.462 . . . . 64.12 109.752 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -112.53 170.64 8.03 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.556 0.742 . . . . 75.31 112.17 -175.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -112.02 131.93 55.11 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.884 0.874 . . . . 73.15 111.944 -169.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.68 119.28 37.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.703 0.801 . . . . 71.1 109.462 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.519 ' OG1' HG22 ' A' ' 22' ' ' ILE . 9.6 t -98.23 139.75 33.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.373 0.606 . . . . 64.42 111.788 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.563 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mp -105.06 112.7 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 107.808 -1.182 . . . . 75.13 107.808 174.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -125.18 108.18 11.5 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.521 0.729 . . . . 72.24 109.939 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -74.73 140.4 44.09 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.14 -0.689 . . . . 75.31 109.14 172.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.3 m -144.21 145.71 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 124.265 1.026 . . . . 74.0 109.823 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -102.57 130.3 49.39 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.83 -0.544 . . . . 74.22 110.852 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.44 -29.01 68.74 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.301 1.04 . . . . 72.23 112.057 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.56 -37.16 57.32 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.533 1.133 . . . . 74.31 113.124 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.26 23.83 13.23 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 121.232 0.539 . . . . 74.15 110.279 -173.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.63 33.91 63.34 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 115.667 -0.697 . . . . 74.32 113.928 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.5 54.03 3.08 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-O 120.256 -0.191 . . . . 65.11 113.546 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.85 135.69 33.24 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 122.953 0.501 . . . . 54.55 110.979 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -64.05 128.19 34.73 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 123.375 0.67 . . . . 73.54 111.983 -174.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.9 t -109.77 123.15 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 124.76 1.224 . . . . 72.4 109.893 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.08 -116.02 4.23 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-O 120.042 -0.31 . . . . 73.13 112.922 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -147.17 166.34 27.27 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.536 0.684 . . . . 65.01 112.61 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.519 HG22 ' OG1' ' A' ' 6' ' ' THR . 2.4 mp -88.07 116.0 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 124.302 1.041 . . . . 72.11 109.66 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.563 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 60.2 t -105.97 101.92 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.289 0.635 . . . . 71.43 110.699 -173.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 p -92.37 125.11 36.88 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.763 -0.586 . . . . 72.11 111.82 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.9 m -108.91 151.07 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.228 1.011 . . . . 70.1 109.136 168.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.1 m -129.8 128.61 42.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 122.103 -0.373 . . . . 75.4 110.811 -175.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.55 -157.36 8.8 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 111.963 -0.455 . . . . 74.05 111.963 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -112.12 154.91 24.75 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.997 0.519 . . . . 70.3 110.7 -176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.5 p -59.3 -31.5 69.2 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.453 0.538 . . . . 71.4 112.453 171.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.76 -32.43 69.56 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.955 0.902 . . . . 75.41 111.361 172.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -90.28 153.36 20.52 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.222 1.009 . . . . 72.24 112.003 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.9 p -129.73 139.51 51.3 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.361 0.664 . . . . 63.53 110.481 172.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.402 HG22 ' HB ' ' A' ' 62' ' ' ILE . 9.8 t -116.73 161.81 18.66 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.371 1.068 . . . . 55.24 111.165 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.2 p -107.29 149.68 27.52 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.9 0.88 . . . . 73.4 111.119 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.444 ' CE2' HG21 ' A' ' 7' ' ' ILE . 77.8 t80 -142.0 126.31 17.6 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.021 0.529 . . . . 74.43 110.85 173.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.4 m -87.94 116.21 25.95 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.794 0.438 . . . . 75.42 110.144 173.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.29 125.25 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.599 0.76 . . . . 75.54 110.478 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.9 m -108.23 108.54 19.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.058 0.943 . . . . 75.05 109.929 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.46 HD11 HD23 ' A' ' 76' ' ' LEU . 37.6 mm -92.6 111.08 49.23 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 123.248 0.619 . . . . 73.32 110.386 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.31 146.64 57.32 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.207 1.938 . . . . 64.05 112.664 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.58 135.01 56.5 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 121.304 0.574 . . . . 73.32 111.829 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.6 -24.53 30.56 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 115.188 -0.914 . . . . 63.34 111.756 -168.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -103.93 144.48 31.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.241 0.616 . . . . 72.23 111.389 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.592 ' HB2' ' HB2' ' A' ' 77' ' ' LYS . 15.8 mm-40 -112.23 121.02 43.74 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.761 1.225 . . . . 71.33 110.155 -175.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -67.05 114.07 5.54 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 117.987 0.358 . . . . 74.43 111.806 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -96.68 -49.88 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.539 0.735 . . . . 74.14 110.602 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.43 174.27 46.09 Favored Glycine 0 N--CA 1.473 1.111 0 CA-C-N 115.771 -0.65 . . . . 74.4 112.284 -178.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.2 m -143.9 142.3 30.71 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 117.256 0.528 . . . . 72.52 111.017 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -112.09 154.65 25.1 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.575 1.15 . . . . 74.33 110.397 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.68 -85.82 0.41 Allowed Glycine 0 N--CA 1.477 1.405 0 CA-C-O 120.237 -0.202 . . . . 72.14 113.109 172.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.2 -160.54 36.62 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 114.382 0.513 . . . . 71.44 114.382 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.426 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 88.2 t -93.0 106.23 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.674 0.79 . . . . 72.33 109.355 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.3 t -90.34 143.28 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.668 0.387 . . . . 73.45 111.495 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -67.83 162.11 24.78 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.189 0.996 . . . . 75.43 111.876 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 p -55.39 -39.41 70.12 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.063 0.945 . . . . 73.33 112.011 176.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -94.57 -2.3 51.77 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.679 0.792 . . . . 64.44 111.8 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.52 30.32 76.28 Favored Glycine 0 C--N 1.357 1.72 0 C-N-CA 122.673 0.177 . . . . 70.32 113.409 -175.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -88.98 -30.3 18.87 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.948 0.899 . . . . 74.12 112.217 -177.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -134.85 149.83 50.39 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.694 0.797 . . . . 72.12 110.524 -177.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.8 t -134.98 121.33 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.964 0.906 . . . . 70.52 109.797 175.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 20.3 m -81.84 103.87 11.81 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 109.229 -0.656 . . . . 71.04 109.229 173.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.402 ' HB ' HG22 ' A' ' 33' ' ' THR . 52.7 mt -90.49 106.72 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 124.372 1.069 . . . . 74.14 110.328 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 m -107.19 125.61 51.33 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.243 -0.651 . . . . 63.31 109.243 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.492 ' HA ' ' HB3' ' A' ' 70' ' ' ASP . 81.4 m-85 -71.8 148.01 46.68 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.69 0.626 . . . . 74.15 112.69 -170.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.82 154.79 43.77 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.049 0.939 . . . . 73.54 110.903 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.63 70.08 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.289 0.636 . . . . 73.33 111.756 174.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -100.09 173.94 6.4 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.018 0.927 . . . . 74.4 110.078 173.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -79.63 73.85 6.32 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.426 0.631 . . . . 72.24 111.03 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.7 m -112.67 -14.51 13.14 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.198 0.999 . . . . 63.34 110.733 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.492 ' HB3' ' HA ' ' A' ' 64' ' ' PHE . 1.4 p-10 -95.45 -27.29 15.48 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.805 1.242 . . . . 62.43 111.946 -178.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -69.93 114.13 7.82 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.411 0.684 . . . . 75.34 110.837 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.448 ' HB ' HG13 ' A' ' 7' ' ' ILE . 72.3 t -94.58 121.85 45.53 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 124.783 1.233 . . . . 75.45 111.517 -170.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.97 110.88 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.295 0.638 . . . . 75.23 110.608 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.5 mp -91.25 133.46 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 109.449 -0.574 . . . . 73.52 109.449 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -108.67 133.19 53.1 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.036 0.934 . . . . 74.55 110.297 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.46 HD23 HD11 ' A' ' 39' ' ' ILE . 94.1 mt -128.3 161.94 28.22 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.809 0.844 . . . . 72.13 111.997 -173.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.592 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 48.8 mmtt -120.18 161.05 21.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.686 0.794 . . . . 71.25 110.123 170.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -97.29 138.54 34.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.478 0.711 . . . . 73.32 111.18 175.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 42.15 -106.06 0.07 OUTLIER Glycine 0 CA--C 1.541 1.671 0 N-CA-C 116.61 1.404 . . . . 75.12 116.61 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.556 1.182 0 C-N-CA 124.46 1.104 . . . . 74.03 111.805 -171.463 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 CA--C 1.552 1.055 0 CA-C-O 120.915 0.388 . . . . 74.33 111.225 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -110.99 143.2 42.04 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.606 0.762 . . . . 72.24 111.423 -172.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -97.27 162.13 13.48 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.206 0.602 . . . . 64.33 110.502 173.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.98 125.17 41.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.933 0.893 . . . . 62.42 109.308 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.8 p -97.98 128.79 44.76 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.545 0.738 . . . . 74.51 111.49 -167.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.573 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 26.7 mt -120.32 132.11 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 124.014 0.925 . . . . 72.41 109.411 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.1 m -143.12 121.28 12.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.708 -0.62 . . . . 75.12 111.462 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.428 ' HH ' ' HA ' ' A' ' 37' ' ' VAL . 28.9 m-85 -79.93 129.36 34.43 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.778 0.831 . . . . 74.43 109.585 172.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 26.8 m -120.22 141.69 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 112.82 0.674 . . . . 74.01 112.82 -174.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -90.7 94.25 9.6 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.366 1.066 . . . . 73.32 109.316 175.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.19 -14.92 62.66 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.604 0.965 . . . . 71.13 113.604 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.47 -13.55 58.05 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.302 0.641 . . . . 75.42 110.844 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -118.36 22.66 12.0 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.992 0.917 . . . . 65.42 110.314 -177.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.84 40.43 64.09 Favored Glycine 0 C--N 1.35 1.346 0 CA-C-N 115.936 -0.574 . . . . 62.25 114.101 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.92 48.69 39.44 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 113.724 0.25 . . . . 63.24 113.724 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -74.7 167.73 21.22 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.096 0.558 . . . . 73.51 112.099 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.467 HE21 ' HA ' ' A' ' 21' ' ' ASP . 53.5 tt0 -83.38 120.38 25.81 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.907 -0.496 . . . . 75.33 111.22 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.1 t -101.52 107.95 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.715 0.806 . . . . 74.42 109.082 173.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.86 -121.04 5.3 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 120.103 -0.276 . . . . 71.23 112.812 -176.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.467 ' HA ' HE21 ' A' ' 18' ' ' GLN . 26.4 t0 -147.54 162.19 39.59 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.458 0.703 . . . . 71.15 111.299 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.34 132.04 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.761 0.825 . . . . 55.15 110.768 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 58.7 t -106.07 112.77 40.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 124.457 1.103 . . . . 73.34 110.084 -177.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.5 p -104.97 130.92 53.06 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.812 0.445 . . . . 72.2 111.198 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.7 m -112.8 138.77 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.683 0.793 . . . . 72.41 109.387 172.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.2 m -106.23 141.65 37.23 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 123.184 0.594 . . . . 72.01 111.999 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.22 -134.1 1.81 Allowed Glycine 0 CA--C 1.533 1.182 0 N-CA-C 111.526 -0.63 . . . . 45.34 111.526 176.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -143.62 156.1 44.46 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 117.644 0.722 . . . . 72.44 110.071 177.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 77.8 p -50.17 -30.03 10.52 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 114.633 1.345 . . . . 75.22 114.633 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.39 -20.02 48.67 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 124.122 0.969 . . . . 73.34 112.361 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -102.84 157.6 16.85 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.519 0.728 . . . . 75.21 112.352 -172.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 m -125.36 154.52 41.72 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.175 0.99 . . . . 72.11 110.644 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 t -138.83 162.23 35.29 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 123.848 0.859 . . . . 71.44 110.557 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -116.09 144.14 44.53 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 121.308 0.575 . . . . 73.3 111.455 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -143.21 139.09 30.12 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.108 0.963 . . . . 72.31 110.269 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.7 m -100.12 138.88 36.59 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.162 0.585 . . . . 73.41 110.92 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.428 ' HA ' ' HH ' ' A' ' 9' ' ' TYR . 95.8 t -76.18 131.13 35.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 124.392 1.077 . . . . 72.24 110.63 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.7 p -107.49 112.19 24.84 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.118 0.967 . . . . 72.12 109.942 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.1 mm -90.07 113.27 56.57 Favored Pre-proline 0 N--CA 1.49 1.552 0 C-N-CA 123.422 0.689 . . . . 73.12 111.063 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -69.76 171.21 14.88 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.52 2.813 . . . . 64.35 114.679 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.72 120.82 10.81 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.171 0.988 . . . . 70.21 112.381 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.76 6.58 89.3 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 116.191 -0.459 . . . . 73.14 114.094 177.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -104.29 150.16 24.69 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 117.549 0.675 . . . . 73.44 111.284 176.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -122.36 140.48 52.63 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.497 1.119 . . . . 75.43 109.884 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -67.68 122.01 17.16 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.519 0.728 . . . . 71.14 111.578 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.0 t -92.5 -52.97 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.932 0.493 . . . . 75.12 109.937 173.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.47 156.01 9.62 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.088 -0.506 . . . . 63.04 113.66 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.439 ' HB ' ' HB ' ' A' ' 53' ' ' VAL . 45.5 m -92.65 131.77 37.46 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.223 0.609 . . . . 73.21 111.306 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.478 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 20.9 t0 -109.91 152.49 25.75 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.602 1.161 . . . . 74.31 109.004 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.72 -73.66 2.61 Favored Glycine 0 N--CA 1.477 1.371 0 N-CA-C 113.739 0.256 . . . . 75.15 113.739 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.91 178.65 48.41 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 116.661 0.23 . . . . 74.34 113.579 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.431 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 46.3 t -88.1 112.5 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 122.972 0.509 . . . . 75.34 110.087 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.439 ' HB ' ' HB ' ' A' ' 48' ' ' THR . 7.5 p -95.51 140.84 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 122.784 0.434 . . . . 71.43 111.57 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -80.18 174.12 11.92 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.191 0.597 . . . . 73.02 111.971 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 t -61.65 -39.3 90.87 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 113.273 0.842 . . . . 74.54 113.273 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.82 -9.77 58.54 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 122.965 0.506 . . . . 64.24 112.178 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.37 -36.46 3.57 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 115.256 0.862 . . . . 74.03 115.256 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.26 -43.08 87.46 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.058 0.762 . . . . 75.12 113.058 -172.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.6 p -94.94 128.36 41.67 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 122.034 -0.416 . . . . 70.2 110.976 -176.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.5 t -126.91 125.46 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.736 0.814 . . . . 73.02 111.075 -175.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 48.0 m -82.7 107.02 15.03 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.49 0.716 . . . . 73.0 110.013 171.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.8 mt -103.71 116.83 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.134 0.974 . . . . 73.41 109.808 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 56.3 m -110.3 120.3 41.99 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.97 0.508 . . . . 74.33 109.698 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 29' ' ' THR . 23.9 m-85 -55.26 125.17 19.57 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.289 0.636 . . . . 74.05 109.934 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.25 152.43 46.12 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.872 0.693 . . . . 64.55 112.872 -171.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.03 -30.95 61.21 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 115.504 -0.771 . . . . 74.35 110.282 168.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.48 107.48 14.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.826 0.85 . . . . 71.11 110.702 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 61.18 18.96 9.61 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.98 1.312 . . . . 65.35 113.024 170.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m 60.12 11.89 2.96 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.766 1.226 . . . . 62.22 113.274 -175.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t70 59.49 67.48 0.89 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.455 1.102 . . . . 71.22 110.038 -167.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -70.25 105.55 3.01 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.221 -0.9 . . . . 73.53 111.491 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.9 t -94.97 117.94 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 124.107 0.963 . . . . 75.42 109.672 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.478 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 61.8 t -114.34 110.19 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.324 0.65 . . . . 74.24 110.07 -176.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.406 HG23 HG11 ' A' ' 37' ' ' VAL . 30.5 mm -85.28 110.66 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.252 -0.647 . . . . 70.11 109.252 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -84.58 128.39 34.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.83 0.452 . . . . 75.14 110.363 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.409 HD11 ' HD2' ' A' ' 9' ' ' TYR . 83.3 mt -131.19 138.76 49.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.672 0.789 . . . . 72.35 110.951 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -110.02 172.56 6.79 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.917 0.887 . . . . 74.41 109.726 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -94.38 128.35 40.85 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.945 -0.472 . . . . 65.42 110.693 172.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.95 -67.82 1.51 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.34 -1.504 . . . . 72.44 109.34 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 CA--C 1.56 1.329 0 N-CA-C 108.055 -1.091 . . . . 74.24 108.055 163.324 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 CA--C 1.547 0.855 0 N-CA-C 110.319 -0.252 . . . . 72.54 110.319 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -91.73 145.53 24.5 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.249 0.62 . . . . 72.1 110.678 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -114.16 169.08 9.28 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.559 0.744 . . . . 74.33 112.163 -176.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.81 124.97 8.69 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.465 1.106 . . . . 74.33 109.458 169.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.0 p -104.79 129.47 53.06 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.313 0.645 . . . . 73.34 112.097 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.524 HG13 ' HB ' ' A' ' 72' ' ' VAL . 3.9 mp -109.22 104.73 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.574 0.75 . . . . 74.31 109.332 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.5 m -103.48 121.0 41.93 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.457 0.703 . . . . 75.4 110.484 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.571 ' HH ' ' HA ' ' A' ' 37' ' ' VAL . 63.0 m-85 -84.23 134.75 34.53 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.005 0.522 . . . . 72.21 109.88 173.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.25 160.11 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 124.289 1.036 . . . . 72.43 110.313 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.88 125.26 43.69 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 121.44 0.638 . . . . 71.12 111.013 173.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -66.73 -25.69 66.64 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 124.872 1.269 . . . . 62.23 113.993 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -74.66 -7.06 52.06 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 112.558 0.577 . . . . 74.51 112.558 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 6.0 mmpt? -124.98 29.53 6.12 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.934 0.894 . . . . 73.31 110.331 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.59 28.67 70.65 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-N 115.865 -0.607 . . . . 72.33 113.864 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.88 43.02 15.22 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 123.434 0.137 . . . . 62.14 112.861 -172.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.57 132.3 37.1 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.599 0.36 . . . . 71.44 110.559 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.89 131.98 45.98 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.371 0.668 . . . . 74.52 112.484 -171.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -99.67 104.87 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 N-CA-C 107.903 -1.147 . . . . 72.31 107.903 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.43 -137.85 23.31 Favored Glycine 0 CA--C 1.541 1.685 0 CA-C-O 120.258 -0.19 . . . . 72.42 112.886 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -114.58 -179.23 3.57 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.491 0.716 . . . . 54.52 111.542 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.74 140.85 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.435 0.694 . . . . 75.23 109.204 173.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -108.12 100.72 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 122.901 0.48 . . . . 65.53 110.244 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.1 m -89.47 118.95 29.5 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 122.061 -0.399 . . . . 74.11 110.409 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -105.21 144.88 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 123.467 0.707 . . . . 70.21 109.315 171.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -132.87 156.65 46.81 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 113.011 0.745 . . . . 53.12 113.011 -167.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 157.12 -116.56 0.72 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 115.623 -0.717 . . . . 64.24 112.231 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -165.39 153.41 11.28 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.274 1.03 . . . . 75.43 109.112 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -54.85 -21.34 11.07 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 114.961 1.467 . . . . 72.13 114.961 -170.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.87 -26.68 67.75 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.589 1.156 . . . . 64.34 112.126 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -102.06 138.44 39.01 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.878 0.871 . . . . 71.41 110.627 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -121.37 142.09 50.33 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.462 0.705 . . . . 73.42 110.951 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -145.17 149.46 35.01 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.51 0.724 . . . . 73.13 110.862 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.2 p -102.6 112.69 25.55 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 109.691 -0.485 . . . . 72.43 109.691 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -82.05 132.63 35.25 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.422 0.689 . . . . 71.14 109.762 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 t -76.42 114.21 14.87 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-O 121.436 0.636 . . . . 64.14 111.474 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.571 ' HA ' ' HH ' ' A' ' 9' ' ' TYR . 75.6 t -78.87 121.51 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.194 0.597 . . . . 74.51 110.368 175.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.1 p -97.37 114.12 25.88 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.103 0.561 . . . . 70.42 110.521 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.48 112.03 50.69 Favored Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.658 0.783 . . . . 75.54 110.197 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.24 157.51 50.01 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.627 2.218 . . . . 71.32 112.77 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -67.39 126.41 29.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.224 0.61 . . . . 65.52 111.015 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.58 -12.37 61.33 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 115.956 -0.565 . . . . 74.1 113.242 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -108.99 141.35 41.22 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.438 0.695 . . . . 75.42 110.886 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -122.46 136.38 54.88 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.788 1.235 . . . . 74.1 110.076 -175.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.539 ' HH ' HG23 ' A' ' 53' ' ' VAL . 69.3 t80 -66.59 113.53 4.84 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 122.765 0.426 . . . . 75.22 111.572 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.2 t -87.97 -60.6 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.449 0.699 . . . . 73.44 110.597 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.72 -176.88 42.51 Favored Glycine 0 C--N 1.342 0.875 0 CA-C-N 115.105 -0.952 . . . . 75.05 112.558 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.5 m -150.42 139.7 21.29 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.143 0.577 . . . . 74.51 110.982 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -116.84 150.27 38.66 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.713 0.805 . . . . 72.11 110.504 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.66 -150.14 22.23 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-O 119.293 -0.726 . . . . 74.45 112.831 -172.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -28.7 155.34 0.0 OUTLIER Glycine 0 N--CA 1.493 2.469 0 N-CA-C 118.088 1.995 . . . . 65.33 118.088 171.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.7 t -77.23 120.96 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.757 0.823 . . . . 75.21 111.594 -161.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.539 HG23 ' HH ' ' A' ' 45' ' ' TYR . 10.1 p -97.55 155.62 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 CA-C-O 121.16 0.505 . . . . 74.44 112.053 -178.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -71.44 164.83 25.04 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.242 1.017 . . . . 75.11 112.67 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.7 p -61.49 -32.36 72.37 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.365 1.066 . . . . 64.24 111.944 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -96.37 -14.34 22.57 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.903 0.881 . . . . 63.44 111.398 177.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.71 35.77 62.17 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-N 116.236 -0.438 . . . . 73.45 112.574 -169.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.561 ' HZ3' ' HB3' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -87.3 -27.6 22.78 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.933 0.493 . . . . 74.44 111.828 179.582 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.5 p -142.75 158.53 43.55 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.071 0.948 . . . . 63.23 111.336 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.583 HG13 HG12 ' A' ' 72' ' ' VAL . 11.1 m -129.02 125.25 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.412 1.085 . . . . 75.13 110.212 170.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.9 m -82.52 128.94 34.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.878 0.871 . . . . 75.32 109.66 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 49.7 mm -124.01 136.12 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 C-N-CA 124.371 1.068 . . . . 72.44 111.438 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 p -125.07 114.65 19.35 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.479 -1.304 . . . . 55.13 107.479 164.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -67.62 113.07 5.12 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.813 0.845 . . . . 75.04 110.355 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.52 146.53 32.44 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.279 0.844 . . . . 61.42 113.279 -169.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.93 1.73 16.8 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 114.848 -1.069 . . . . 62.13 111.732 168.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.96 -29.72 62.14 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.773 1.229 . . . . 75.13 111.097 171.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 70.7 9.34 6.83 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.342 1.608 . . . . 63.03 115.342 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.2 m -65.43 -65.78 0.63 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 118.798 0.727 . . . . 62.11 111.0 172.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -34.12 -7.65 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 118.296 2.702 . . . . 73.31 118.296 164.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -69.78 99.86 1.42 Allowed 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 119.677 1.126 . . . . 70.24 108.919 163.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.583 HG12 HG13 ' A' ' 60' ' ' VAL . 52.3 t -84.93 143.84 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.15 0.98 . . . . 73.23 111.628 -174.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.3 t -127.11 118.84 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 123.289 0.636 . . . . 72.52 109.584 167.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.1 mm -90.24 119.62 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.078 0.951 . . . . 75.14 109.852 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -92.44 131.91 37.21 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.714 0.806 . . . . 75.32 110.309 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.14 145.19 51.87 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.86 0.864 . . . . 74.11 110.801 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -124.56 150.91 45.39 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.75 -0.594 . . . . 73.43 110.822 173.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -74.92 137.8 41.94 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 122.705 0.402 . . . . 63.53 110.886 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.27 42.53 1.92 Allowed Glycine 0 N--CA 1.473 1.163 0 N-CA-C 111.317 -0.713 . . . . 73.41 111.317 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 123.848 0.859 . . . . 73.52 109.687 -173.295 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.739 0.304 . . . . 73.14 111.711 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -90.04 134.91 33.97 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.68 0.792 . . . . 72.43 110.512 173.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -114.13 144.84 42.5 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.579 0.752 . . . . 72.42 110.455 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -107.66 169.25 8.71 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.972 0.891 . . . . 74.34 113.354 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.09 118.82 7.53 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 113.95 -1.477 . . . . 71.33 108.15 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -105.73 123.71 48.38 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.076 0.465 . . . . 72.25 110.152 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 11.7 mt -103.5 97.83 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.689 -0.856 . . . . 72.24 108.689 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.8 m -106.23 111.29 23.83 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 110.114 -0.328 . . . . 75.23 110.114 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -73.48 124.7 26.34 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.926 -0.768 . . . . 71.4 108.926 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 m -126.92 150.86 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.861 0.864 . . . . 73.21 110.419 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -92.88 96.82 10.36 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.479 -0.563 . . . . 63.23 109.479 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' HB2' ' HB3' ' A' ' 75' ' ' HIS . 15.1 t70 -61.62 -19.33 62.14 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.89 1.276 . . . . 71.14 112.582 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.498 ' HB2' ' HA ' ' A' ' 77' ' ' LYS . 14.3 t70 -80.9 -26.69 36.64 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.598 0.759 . . . . 64.35 111.05 175.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.44 41.37 2.33 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.659 0.784 . . . . 75.04 110.689 -173.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.84 28.92 70.96 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 115.258 0.863 . . . . 65.35 115.258 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.05 23.66 56.79 Favored Glycine 0 CA--C 1.54 1.642 0 N-CA-C 114.791 0.676 . . . . 71.42 114.791 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.88 132.08 43.06 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 117.632 0.716 . . . . 75.14 111.13 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.454 HE22 HG13 ' A' ' 22' ' ' ILE . 64.4 tt0 -61.03 131.24 49.99 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.862 1.06 . . . . 73.41 113.862 -166.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.64 111.42 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.247 1.019 . . . . 73.13 108.46 172.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.76 -113.28 3.76 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 120.174 -0.237 . . . . 34.41 113.278 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -150.49 171.8 16.48 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.361 0.601 . . . . 64.52 112.223 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.454 HG13 HE22 ' A' ' 18' ' ' GLN . 62.3 mt -81.29 132.62 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.74 0.816 . . . . 75.22 110.481 176.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.551 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 21.8 t -93.64 100.81 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 N-CA-C 108.814 -0.809 . . . . 72.34 108.814 174.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.6 m -86.83 106.06 17.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.834 0.454 . . . . 65.4 110.019 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.1 m -115.98 139.15 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 122.759 0.424 . . . . 74.42 109.868 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.0 p -130.03 156.36 44.62 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.351 0.66 . . . . 73.14 110.829 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.82 -140.21 4.6 Favored Glycine 0 N--CA 1.468 0.768 0 CA-C-N 115.722 -0.672 . . . . 73.4 111.823 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -124.4 155.74 38.31 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.339 0.569 . . . . 74.13 110.164 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.8 m -53.65 -30.57 43.76 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.44 0.696 . . . . 74.44 112.699 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.86 -30.5 71.56 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.427 0.691 . . . . 64.33 112.295 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -92.36 135.6 33.89 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.78 0.832 . . . . 75.1 111.89 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -119.8 138.03 53.61 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.537 0.735 . . . . 65.32 109.859 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -109.42 152.86 24.81 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.777 0.831 . . . . 73.22 111.623 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.542 HG22 HG21 ' A' ' 61' ' ' THR . 61.1 p -113.16 115.89 28.97 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.735 0.814 . . . . 63.25 109.681 173.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -115.7 125.47 52.86 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.585 0.754 . . . . 73.52 111.11 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.5 m -84.2 128.8 34.79 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.827 0.451 . . . . 72.13 110.046 173.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.3 t -74.54 131.51 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 124.135 0.974 . . . . 73.31 110.15 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.1 p -105.71 114.19 28.2 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.097 0.959 . . . . 74.05 109.67 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.0 mm -93.49 107.85 29.52 Favored Pre-proline 0 CA--C 1.557 1.224 0 C-N-CA 123.475 0.71 . . . . 71.23 110.935 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -83.74 169.83 11.76 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.894 2.396 . . . . 74.43 113.849 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.27 109.11 1.04 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 114.052 1.13 . . . . 73.43 114.052 -172.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.37 10.46 58.19 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 115.771 -0.649 . . . . 73.13 114.456 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 37.0 m-85 -119.81 140.44 50.77 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 117.542 0.671 . . . . 73.55 110.563 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -118.27 129.58 55.55 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.351 1.06 . . . . 72.41 110.824 -171.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -63.7 115.47 4.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 118.174 0.443 . . . . 72.4 111.914 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.6 t -94.14 -55.13 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.556 0.743 . . . . 74.32 110.114 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.26 172.9 44.97 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-N 115.701 -0.681 . . . . 70.35 113.708 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 76.6 m -136.02 139.93 43.49 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.032 0.933 . . . . 72.01 110.175 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -130.94 153.84 48.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.57 0.748 . . . . 62.44 110.857 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.54 -139.68 14.69 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-O 118.19 -1.339 . . . . 75.33 110.098 -166.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 3.2 116.31 0.0 OUTLIER Glycine 0 N--CA 1.494 2.512 0 N-CA-C 116.48 1.352 . . . . 70.14 116.48 153.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.454 ' HB ' ' HG1' ' A' ' 61' ' ' THR . 47.3 t -67.18 106.08 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.352 0.661 . . . . 75.4 110.666 -168.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 p -77.65 139.84 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 122.818 0.447 . . . . 63.3 111.349 -173.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -71.67 164.87 25.14 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.366 0.666 . . . . 71.24 111.744 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.9 m -64.31 -27.82 69.29 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.356 0.662 . . . . 75.21 112.511 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -82.39 -18.65 41.25 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.181 0.592 . . . . 75.23 112.327 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.4 -20.36 5.08 Favored Glycine 0 CA--C 1.544 1.85 0 N-CA-C 115.268 0.867 . . . . 74.55 115.268 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.564 ' HZ2' ' HB2' ' A' ' 58' ' ' LYS . 9.0 mtmp? -79.06 -16.59 56.59 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.932 0.893 . . . . 74.21 112.067 -175.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.5 p -126.69 152.66 46.47 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.553 0.741 . . . . 74.34 110.671 173.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.1 t -138.41 118.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 124.421 1.088 . . . . 71.43 109.988 -175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.542 HG21 HG22 ' A' ' 34' ' ' THR . 69.4 p -83.11 103.36 12.48 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 121.727 0.775 . . . . 64.42 110.211 173.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.8 mt -93.15 150.4 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.13 1.372 . . . . 74.24 110.144 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.5 m -140.98 133.22 28.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.828 -0.545 . . . . 61.33 110.516 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -72.61 136.94 45.84 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.987 0.915 . . . . 74.52 111.449 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.93 131.13 38.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.909 0.484 . . . . 75.44 111.409 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.5 -21.45 48.9 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.085 0.554 . . . . 54.42 111.239 171.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.98 -62.09 1.81 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.941 0.896 . . . . 75.55 110.845 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.81 -44.95 19.64 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.159 0.983 . . . . 74.43 112.43 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m 56.42 96.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.674 -1.232 . . . . 71.12 107.674 -156.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -67.81 82.39 0.19 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.772 0.796 . . . . 72.43 111.564 -155.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -69.26 97.07 0.9 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.584 -1.189 . . . . 65.45 110.143 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.9 t -87.7 116.4 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 N-CA-C 108.845 -0.798 . . . . 74.31 108.845 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.8 t -110.04 110.65 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.274 0.629 . . . . 62.02 110.123 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -100.99 108.59 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 123.221 0.608 . . . . 71.33 109.783 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 43.4 m-70 -83.45 132.85 34.94 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.351 1.06 . . . . 73.3 110.591 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.7 mt -132.22 137.32 47.52 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 123.366 0.667 . . . . 75.14 111.289 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 13' ' ' ASP . 67.8 mttm -107.69 170.99 7.64 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.4 -0.813 . . . . 74.01 111.35 174.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -89.14 128.75 35.8 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 122.15 -0.344 . . . . 74.43 111.015 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.62 -123.93 3.71 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 116.411 -0.359 . . . . 73.12 112.304 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.3 tp -116.73 107.19 14.35 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.053 0.541 . . . . 75.44 109.808 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -70.84 122.79 20.56 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.115 0.566 . . . . 73.51 111.537 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -100.14 25.44 7.47 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 123.823 0.849 . . . . 72.4 110.885 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 62.82 84.83 0.14 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.985 1.314 . . . . 75.11 112.745 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -167.91 -176.71 3.13 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.748 0.819 . . . . 72.22 111.802 174.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.83 118.75 4.52 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.795 1.238 . . . . 73.44 112.961 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -81.05 148.82 29.5 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.592 0.757 . . . . 74.31 109.914 173.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 121.582 0.706 . . . . 73.43 110.591 -177.18 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 110.323 -0.251 . . . . 73.12 110.323 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -98.7 163.08 12.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.338 0.655 . . . . 52.02 111.31 -176.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.436 ' HB3' ' HB3' ' A' ' 64' ' ' PHE . 12.3 tp10 -112.02 146.46 37.87 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.911 0.884 . . . . 75.24 111.214 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -109.57 124.75 51.65 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.944 0.898 . . . . 71.34 109.797 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.75 138.16 44.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.51 1.124 . . . . 64.03 110.323 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.502 ' HA ' HG22 ' A' ' 24' ' ' THR . 67.2 p -96.96 138.9 33.79 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.489 0.716 . . . . 73.33 112.202 -169.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.1 mt -128.69 110.71 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 124.935 1.294 . . . . 74.54 108.802 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -117.86 109.44 16.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.794 0.437 . . . . 70.54 111.049 -174.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -73.13 133.14 44.01 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 108.73 -0.841 . . . . 72.45 108.73 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 m -133.52 166.14 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.021 0.928 . . . . 72.53 110.289 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -126.95 115.48 19.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.396 0.678 . . . . 75.14 109.547 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -67.1 -26.24 66.61 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.46 1.104 . . . . 72.14 113.069 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -76.69 -8.57 57.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.948 -0.47 . . . . 72.35 111.171 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.8 mmpt? -105.62 18.68 21.8 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.144 0.978 . . . . 73.34 110.214 168.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.25 30.69 69.26 Favored Glycine 0 C--N 1.355 1.588 0 C-N-CA 123.183 0.421 . . . . 60.34 114.149 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.71 31.02 51.22 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 122.891 0.281 . . . . 63.12 113.394 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.35 140.04 31.86 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.476 0.71 . . . . 74.31 110.902 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -68.93 140.88 55.1 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.214 0.82 . . . . 74.22 113.214 -169.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.14 109.67 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.3 1.04 . . . . 73.04 108.845 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.48 -156.92 45.43 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.265 0.353 . . . . 43.5 113.153 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -94.13 154.9 17.35 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.124 0.569 . . . . 75.53 110.369 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.18 130.2 34.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 C-N-CA 123.198 0.599 . . . . 74.21 110.354 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.7 t -93.55 140.51 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.096 -1.075 . . . . 74.35 108.096 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 6' ' ' THR . 56.6 p -131.91 145.81 51.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.67 -0.644 . . . . 71.01 112.031 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 m -116.33 138.44 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.466 1.106 . . . . 75.23 109.962 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.8 m -113.72 140.24 48.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.868 -0.52 . . . . 70.24 111.7 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.1 174.87 42.08 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.746 0.689 . . . . 65.22 111.571 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -81.24 154.15 26.77 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.141 -0.689 . . . . 74.44 109.141 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.6 p -55.13 -28.24 51.22 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 113.782 1.03 . . . . 74.14 113.782 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.76 -13.48 61.33 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.992 0.917 . . . . 70.3 112.874 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -101.94 151.93 21.53 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.505 0.722 . . . . 72.21 111.886 -177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -125.68 139.18 53.77 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.276 1.03 . . . . 73.12 108.672 167.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.0 t -115.97 160.69 19.91 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.624 0.769 . . . . 74.45 110.808 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.8 m -114.62 125.43 53.75 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.154 0.582 . . . . 71.15 109.639 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -112.53 131.56 55.54 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.129 0.972 . . . . 65.01 110.396 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.9 m -84.39 117.34 23.56 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.842 0.457 . . . . 65.12 110.659 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.28 116.11 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 124.471 1.108 . . . . 72.34 110.128 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.7 p -102.37 119.55 39.0 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.611 0.765 . . . . 75.15 110.677 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.7 mm -90.34 119.36 69.18 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.446 0.698 . . . . 74.54 110.794 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.08 143.24 25.55 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 123.045 2.497 . . . . 62.23 112.533 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.15 120.49 12.2 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.453 0.701 . . . . 72.41 110.767 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.36 -25.52 17.62 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 123.544 0.592 . . . . 51.43 112.63 -172.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 39.5 m-85 -104.84 126.84 52.32 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.143 0.977 . . . . 73.34 110.08 177.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.409 ' HB2' ' HG2' ' A' ' 77' ' ' LYS . 11.5 mm-40 -100.3 130.25 46.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.061 0.944 . . . . 72.41 109.894 -175.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -65.02 115.25 5.22 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.328 0.651 . . . . 73.22 111.264 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.5 t -93.46 -42.52 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.415 0.686 . . . . 73.41 110.099 177.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.74 -174.27 43.98 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.005 -0.543 . . . . 74.53 113.747 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.4 m -132.36 139.28 48.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.292 1.037 . . . . 74.52 109.826 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.63 152.41 45.21 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.435 1.094 . . . . 71.01 110.636 -174.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.41 -72.46 1.52 Allowed Glycine 0 N--CA 1.479 1.521 0 C-N-CA 122.76 0.219 . . . . 64.24 112.747 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.01 172.81 48.16 Favored Glycine 0 N--CA 1.478 1.495 0 CA-C-N 116.548 0.174 . . . . 70.22 113.069 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.426 ' HB ' HG21 ' A' ' 61' ' ' THR . 31.7 t -86.57 107.8 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 109.774 -0.454 . . . . 74.35 109.774 -176.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.4 p -84.2 147.99 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 122.926 0.49 . . . . 75.52 111.315 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.9 t -69.54 160.81 30.79 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.547 0.739 . . . . 72.21 111.08 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 t -62.17 -31.27 71.75 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.731 0.812 . . . . 72.41 113.078 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -89.61 -10.81 44.6 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.358 0.663 . . . . 75.21 112.386 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.33 12.25 84.75 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 114.703 0.641 . . . . 75.33 114.703 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.643 ' HZ1' ' HB3' ' A' ' 58' ' ' LYS . 5.2 ttpm? -78.8 -36.02 43.38 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.627 0.771 . . . . 74.5 112.2 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.9 p -131.86 165.69 23.27 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.424 0.69 . . . . 72.23 111.604 -175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.57 131.22 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.187 0.995 . . . . 75.33 110.387 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.426 HG21 ' HB ' ' A' ' 52' ' ' VAL . 11.0 t -88.94 123.59 33.43 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.681 0.753 . . . . 74.43 110.714 175.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.605 HG12 HG23 ' A' ' 72' ' ' VAL . 18.1 mt -116.1 119.3 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.688 1.195 . . . . 72.01 109.7 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.9 m -107.66 129.8 54.98 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.553 -0.536 . . . . 71.15 109.553 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.436 ' HB3' ' HB3' ' A' ' 3' ' ' GLU . 38.3 m-85 -74.27 138.72 43.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.8 0.84 . . . . 73.44 110.982 -170.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.2 153.24 32.33 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 112.411 0.523 . . . . 71.22 112.411 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.55 22.09 0.6 Allowed 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.196 0.999 . . . . 62.12 111.432 171.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -132.3 158.61 41.42 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.039 1.336 . . . . 75.12 109.748 -174.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.0 -8.69 17.03 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.684 0.994 . . . . 73.0 113.684 -178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.5 p -65.33 -10.63 34.53 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 113.751 1.019 . . . . 64.52 113.751 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.65 -31.2 72.32 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.838 0.855 . . . . 64.42 112.633 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.99 133.98 56.64 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.09 0.956 . . . . 75.43 113.348 -172.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.605 HG23 HG12 ' A' ' 62' ' ' ILE . 88.9 t -124.64 117.15 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 N-CA-C 108.796 -0.816 . . . . 75.41 108.796 171.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.47 112.07 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.364 0.665 . . . . 73.21 109.912 -177.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.0 mm -85.81 117.59 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 109.384 -0.599 . . . . 61.44 109.384 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -94.97 119.98 34.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.24 0.616 . . . . 73.12 110.783 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.4 mt -121.33 169.07 10.96 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.664 1.186 . . . . 74.11 109.355 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.409 ' HG2' ' HB2' ' A' ' 44' ' ' GLU . 13.0 ptmm? -143.52 171.4 14.21 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.648 -0.501 . . . . 74.12 109.648 175.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -90.89 146.79 23.62 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.659 -0.65 . . . . 74.23 111.318 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.82 -148.08 16.15 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.763 -0.653 . . . . 71.12 112.458 171.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.71 117.54 19.95 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.711 0.404 . . . . 74.43 110.396 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.12 139.37 56.17 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.189 0.596 . . . . 63.12 112.106 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -110.55 96.98 6.53 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.846 0.858 . . . . 75.14 110.309 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -133.78 159.48 40.49 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.652 0.781 . . . . 72.14 111.218 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -100.05 -178.67 3.91 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.819 0.847 . . . . 73.45 110.915 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -69.99 138.9 52.62 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.888 0.475 . . . . 75.13 110.905 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -62.67 129.75 41.92 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.261 0.625 . . . . 73.15 111.199 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.0 t60 . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.161 0.984 . . . . 73.22 111.753 -178.893 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.258 0.075 . . . . 71.43 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -103.79 141.03 36.81 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.428 0.691 . . . . 73.33 109.335 167.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.544 ' HG2' ' HB ' ' A' ' 29' ' ' THR . 13.3 mp0 -100.53 140.29 35.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.267 0.627 . . . . 73.53 111.25 -167.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.29 162.6 23.41 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.348 0.594 . . . . 73.23 111.052 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.59 133.6 38.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.866 0.866 . . . . 50.41 109.655 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.7 p -100.03 126.13 46.18 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.321 0.648 . . . . 74.43 110.781 -173.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.57 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 26.4 mt -106.82 101.42 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.923 0.889 . . . . 73.51 109.681 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.3 m -110.24 111.49 22.84 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.336 0.655 . . . . 74.04 110.179 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -73.16 130.15 39.62 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.448 -0.575 . . . . 72.01 109.448 169.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.06 149.24 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.017 0.927 . . . . 71.13 109.694 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -91.07 105.34 17.75 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.524 -0.547 . . . . 70.3 109.524 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.25 -27.19 67.03 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.188 1.395 . . . . 62.12 111.853 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.34 -15.81 62.41 Favored 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 123.315 0.646 . . . . 74.42 111.662 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 17.31 15.72 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.721 0.808 . . . . 65.35 110.846 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.5 18.52 67.87 Favored Glycine 0 CA--C 1.543 1.801 0 N-CA-C 115.501 0.96 . . . . 75.5 115.501 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.43 51.07 0.47 Allowed Glycine 0 N--CA 1.48 1.632 0 CA-C-N 117.516 0.658 . . . . 34.3 114.247 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.33 122.59 37.04 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.048 0.539 . . . . 65.32 110.801 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.43 121.53 12.31 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.028 0.531 . . . . 73.14 112.327 -172.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -95.33 106.01 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 124.118 0.967 . . . . 73.52 109.186 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.51 -104.76 2.0 Allowed Glycine 0 CA--C 1.538 1.5 0 CA-C-O 119.889 -0.395 . . . . 74.4 112.275 -173.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -162.53 -177.88 5.89 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.253 0.621 . . . . 73.11 111.635 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.2 mt -80.99 140.74 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 123.957 0.903 . . . . 64.14 111.831 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 36.0 t -106.4 100.29 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.698 0.799 . . . . 65.21 108.928 172.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -86.11 114.98 23.4 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 121.974 -0.454 . . . . 74.24 109.886 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -104.44 139.51 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.702 0.401 . . . . 74.24 110.095 172.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.8 p -111.62 145.55 38.99 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.915 0.486 . . . . 74.43 111.053 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.78 -141.21 3.14 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 115.272 -0.876 . . . . 63.42 111.572 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -136.06 140.33 43.72 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 117.146 0.473 . . . . 73.43 110.026 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.544 ' HB ' ' HG2' ' A' ' 3' ' ' GLU . 8.9 t -57.96 -20.31 37.02 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 114.358 1.244 . . . . 64.32 114.358 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.57 -38.58 84.3 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.814 0.846 . . . . 64.04 111.576 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -110.31 165.07 12.07 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 122.004 0.907 . . . . 75.12 112.895 -171.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 63' ' ' THR . 88.1 p -114.36 170.23 8.45 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.123 -1.399 . . . . 72.45 110.67 173.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.5 t -137.39 160.82 37.99 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.615 0.766 . . . . 63.23 110.571 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 p -109.3 128.48 55.12 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.454 0.701 . . . . 74.41 109.887 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -121.89 122.53 39.61 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.404 0.682 . . . . 74.14 109.982 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -76.47 122.73 24.96 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.85 -0.426 . . . . 74.22 109.85 174.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.6 t -74.36 125.26 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 N-CA-C 108.966 -0.754 . . . . 74.44 108.966 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 p -105.94 113.59 27.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.459 0.704 . . . . 72.42 109.578 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mm -92.64 109.21 37.2 Favored Pre-proline 0 N--CA 1.484 1.265 0 C-N-CA 122.932 0.493 . . . . 74.43 110.027 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' HD11 ' A' ' 76' ' ' LEU . 48.1 Cg_endo -65.8 145.85 81.87 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 122.463 2.109 . . . . 51.45 112.1 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.8 113.8 1.63 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.342 1.057 . . . . 73.12 112.122 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.47 -6.86 28.3 Favored Glycine 0 N--CA 1.481 1.639 0 C-N-CA 122.967 0.318 . . . . 75.02 113.731 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -109.11 161.08 15.54 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.552 0.741 . . . . 72.5 111.392 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -127.98 144.09 51.1 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.2 1.0 . . . . 74.41 109.857 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -69.85 132.52 46.16 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 122.858 0.463 . . . . 75.31 111.863 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.1 t -108.69 -61.75 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.399 0.68 . . . . 75.2 111.44 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.61 165.24 37.66 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-O 120.054 -0.303 . . . . 74.51 113.446 -174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.7 m -121.79 138.7 54.27 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.38 0.672 . . . . 74.42 111.508 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.59 ' HB2' ' HB ' ' A' ' 73' ' ' VAL . 22.2 m-20 -110.55 154.32 23.88 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.711 1.204 . . . . 75.21 110.437 178.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.66 -70.06 3.24 Favored Glycine 0 N--CA 1.479 1.5 0 N-CA-C 113.784 0.273 . . . . 63.21 113.784 172.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.58 -179.33 52.91 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 122.611 0.148 . . . . 63.34 113.263 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.1 t -105.33 115.31 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.282 0.633 . . . . 74.55 109.731 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.3 p -83.86 147.62 5.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 CA-C-O 121.123 0.487 . . . . 71.14 111.176 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -72.59 163.3 28.27 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.577 0.751 . . . . 64.23 112.098 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.0 p -58.99 -35.66 73.61 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.599 1.159 . . . . 75.24 113.075 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.99 -13.13 51.58 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.239 0.615 . . . . 72.12 112.094 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.37 6.58 80.79 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 114.767 0.667 . . . . 62.51 114.767 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -80.88 -35.94 31.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.511 0.724 . . . . 72.34 111.398 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.8 p -126.06 162.09 26.11 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.814 0.846 . . . . 73.54 111.461 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.6 p -130.81 122.87 53.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 C-N-CA 124.55 1.14 . . . . 75.43 109.782 174.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.8 m -77.38 108.85 10.82 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.445 -0.576 . . . . 75.41 109.445 171.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.45 HG12 HG21 ' A' ' 72' ' ' VAL . 21.4 mt -104.71 110.3 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.699 0.8 . . . . 74.32 110.076 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 12.4 m -91.76 148.43 22.25 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 108.905 -0.776 . . . . 74.42 108.905 175.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -88.39 141.64 28.38 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.895 -0.503 . . . . 75.34 111.164 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.03 153.19 42.71 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.916 0.886 . . . . 74.15 110.223 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.4 -18.81 65.57 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.464 0.705 . . . . 73.53 112.035 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -116.12 -173.2 2.32 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 124.554 1.142 . . . . 70.21 111.575 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -90.63 13.39 16.11 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.095 1.146 . . . . 73.21 114.095 -170.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.8 t -62.54 -24.36 67.47 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 113.524 0.935 . . . . 74.44 113.524 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -116.84 10.09 14.07 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.584 0.754 . . . . 61.13 112.014 -173.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.16 116.48 10.58 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.096 0.558 . . . . 64.44 109.694 175.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 99.4 t -88.47 126.17 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.53 0.732 . . . . 70.23 111.686 -167.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.59 ' HB ' ' HB2' ' A' ' 49' ' ' ASP . 72.9 t -118.5 103.21 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 108.997 -0.742 . . . . 71.43 108.997 174.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.5 mt -89.14 125.86 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.462 0.705 . . . . 71.22 110.466 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -98.09 125.64 43.18 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.2 1.0 . . . . 74.44 109.994 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.463 HD11 ' HD2' ' A' ' 40' ' ' PRO . 57.5 mt -128.04 134.87 49.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.239 0.616 . . . . 74.55 109.807 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -102.63 172.68 6.71 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 109.965 -0.383 . . . . 74.22 109.965 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -87.94 142.43 27.8 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.938 -0.393 . . . . 71.23 109.938 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.77 116.63 8.47 Favored Glycine 0 C--N 1.349 1.279 0 N-CA-C 111.124 -0.791 . . . . 72.04 111.124 170.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.76 83.61 0.3 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.389 0.675 . . . . 75.11 112.74 -163.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 30.24 -80.09 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 128.045 2.538 . . . . 74.03 115.979 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -92.28 144.75 25.08 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.973 -0.454 . . . . 74.0 111.115 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -76.96 157.0 31.54 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.875 0.47 . . . . 74.41 110.823 173.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 62.69 34.69 14.6 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.418 1.087 . . . . 74.33 111.195 -170.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -74.44 -12.95 60.64 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.283 0.845 . . . . 72.42 113.283 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -143.1 136.51 28.35 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.217 0.607 . . . . 74.53 109.855 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.2 t60 . . . . . 0 N--CA 1.486 1.343 0 C-N-CA 124.024 0.93 . . . . 70.44 111.15 177.752 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 109.93 -0.396 . . . . 64.52 109.93 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -111.26 106.05 14.91 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.74 0.816 . . . . 64.31 110.874 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -98.71 138.47 35.83 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.338 0.655 . . . . 74.41 110.19 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -113.17 148.83 34.62 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-O 121.417 0.627 . . . . 65.02 112.418 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -114.02 135.96 53.44 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.65 1.18 . . . . 64.21 110.083 176.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -111.53 126.72 55.28 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.526 0.73 . . . . 71.12 111.083 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.71 123.55 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.76 0.824 . . . . 72.21 109.938 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.2 m -121.28 115.47 23.05 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.08 0.552 . . . . 72.11 110.608 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -75.83 135.32 40.22 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.96 0.504 . . . . 75.04 109.966 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.19 150.2 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 123.392 0.677 . . . . 72.23 111.158 -177.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -105.63 111.83 24.67 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.314 0.646 . . . . 75.35 110.509 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.07 -24.92 68.13 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.815 1.246 . . . . 72.11 113.441 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -86.51 -3.75 59.06 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 112.367 0.506 . . . . 70.52 112.367 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -124.09 23.66 8.41 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.549 0.74 . . . . 74.43 110.48 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.61 35.01 79.91 Favored Glycine 0 C--N 1.351 1.369 0 CA-C-N 116.093 -0.503 . . . . 72.21 114.208 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.9 40.66 43.55 Favored Glycine 0 CA--C 1.541 1.677 0 N-CA-C 114.33 0.492 . . . . 74.24 114.33 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.59 145.64 30.53 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 117.44 0.62 . . . . 74.1 111.527 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -60.73 123.22 16.83 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 113.093 0.775 . . . . 72.32 113.093 -173.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.1 t -93.59 106.14 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 123.788 0.835 . . . . 74.2 109.249 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.8 -96.98 0.47 Allowed Glycine 0 CA--C 1.536 1.372 0 N-CA-C 114.726 0.65 . . . . 72.42 114.726 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.54 159.31 29.43 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 113.349 0.87 . . . . 72.4 113.349 -163.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.3 mt -106.75 123.4 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.012 0.925 . . . . 73.3 108.551 163.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG23 ' HH ' ' A' ' 35' ' ' TYR . 59.1 t -97.96 108.44 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.667 0.787 . . . . 73.45 110.509 -176.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 m -98.07 106.4 18.69 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.696 -0.483 . . . . 72.22 109.696 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -104.01 141.08 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.12 0.568 . . . . 63.04 110.116 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.4 m -121.99 135.07 54.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.863 -0.523 . . . . 64.12 111.893 -173.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.68 -110.54 0.41 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 111.079 -0.808 . . . . 64.31 111.079 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 82.5 tttt -155.73 151.59 27.52 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.221 0.608 . . . . 74.33 110.161 173.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.3 t -58.29 -24.29 59.06 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 113.342 0.867 . . . . 72.22 113.342 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.98 -36.74 64.56 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.921 0.888 . . . . 71.23 110.986 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -85.76 158.91 19.89 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.046 0.938 . . . . 72.11 112.189 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.1 p -133.46 159.53 40.08 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.879 0.871 . . . . 73.04 111.066 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -137.29 161.26 36.72 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.8 0.84 . . . . 72.23 110.983 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.1 p -119.21 110.61 17.22 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.787 0.835 . . . . 75.03 110.119 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.566 ' HH ' HG23 ' A' ' 23' ' ' VAL . 53.8 t80 -101.31 138.2 38.64 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.781 0.832 . . . . 72.22 110.913 -176.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.3 t -86.56 138.43 31.72 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 121.033 0.444 . . . . 72.12 111.567 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.486 HG11 HG22 ' A' ' 74' ' ' ILE . 89.1 t -76.48 127.31 37.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.353 0.661 . . . . 73.21 110.186 176.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.0 m -99.35 106.1 18.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.145 0.978 . . . . 74.42 109.488 -175.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.6 mm -90.33 113.68 58.34 Favored Pre-proline 0 CA--C 1.559 1.292 0 C-N-CA 123.434 0.694 . . . . 73.35 110.705 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.47 162.65 33.11 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.813 2.342 . . . . 74.23 112.695 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.59 119.33 14.59 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.761 0.824 . . . . 64.14 111.527 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.15 12.21 63.74 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 116.122 -0.49 . . . . 73.2 113.716 -176.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -123.1 146.33 47.81 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.691 0.796 . . . . 72.13 110.847 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -119.07 149.33 41.86 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.909 0.884 . . . . 63.32 110.36 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -69.79 132.05 45.47 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.202 0.601 . . . . 74.43 111.746 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.9 t -107.09 -60.37 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.264 0.626 . . . . 73.25 111.386 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.25 -175.37 35.84 Favored Glycine 0 N--CA 1.483 1.821 0 N-CA-C 113.82 0.288 . . . . 55.11 113.82 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.4 m -148.75 138.35 21.96 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.911 0.885 . . . . 72.31 110.844 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -122.69 153.7 39.07 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.499 1.12 . . . . 74.42 111.089 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.51 -71.57 1.14 Allowed Glycine 0 N--CA 1.477 1.402 0 CA-C-N 116.636 -0.256 . . . . 51.55 113.268 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.2 -172.8 43.42 Favored Glycine 0 CA--C 1.535 1.313 0 N-CA-C 113.637 0.215 . . . . 45.34 113.637 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.09 150.49 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.252 0.621 . . . . 74.31 109.567 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.18 149.38 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.072 0.549 . . . . 74.23 111.547 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -72.02 159.72 33.72 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.837 0.855 . . . . 75.54 111.808 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.3 m -69.16 -24.09 64.03 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.347 0.659 . . . . 74.1 111.548 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -81.64 -19.85 40.87 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.441 0.696 . . . . 75.2 111.317 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.21 11.87 59.7 Favored Glycine 0 C--N 1.355 1.626 0 N-CA-C 115.018 0.767 . . . . 72.1 115.018 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -90.35 -17.16 27.8 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.614 0.766 . . . . 70.0 112.108 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 69.4 p -133.49 153.63 51.47 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.692 0.797 . . . . 73.32 110.332 172.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.8 m -130.69 122.67 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 C-N-CA 125.078 1.351 . . . . 73.32 109.501 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.0 m -86.09 105.93 16.86 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.321 0.581 . . . . 74.22 109.851 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.497 HG12 HG22 ' A' ' 72' ' ' VAL . 50.0 mt -107.89 110.46 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.43 1.092 . . . . 74.34 110.919 -171.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.1 m -90.66 129.25 36.79 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.782 -0.821 . . . . 74.41 108.782 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 56.1 m-85 -65.32 149.64 49.63 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.981 -0.377 . . . . 75.24 109.981 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.19 151.23 32.74 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.944 0.402 . . . . 71.22 112.055 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.88 -4.65 57.05 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 115.687 -0.688 . . . . 74.4 110.311 163.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -97.4 163.98 12.65 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 125.36 1.464 . . . . 73.31 110.644 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.62 -2.81 15.49 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 113.959 1.096 . . . . 75.31 113.959 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.2 m -71.38 1.81 5.77 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 113.096 0.776 . . . . 75.43 113.096 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 4.8 p-10 -76.61 -25.61 54.07 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.691 0.797 . . . . 75.14 111.284 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -70.97 101.42 2.18 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.746 0.819 . . . . 70.22 110.924 -174.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.497 HG22 HG12 ' A' ' 62' ' ' ILE . 97.9 t -101.33 117.46 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.594 -0.521 . . . . 75.32 109.594 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.65 107.16 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.396 0.678 . . . . 71.0 109.911 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.486 HG22 HG11 ' A' ' 37' ' ' VAL . 71.2 mt -92.53 117.26 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.12 0.568 . . . . 74.32 109.83 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -85.47 137.52 32.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.516 1.126 . . . . 74.42 111.567 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -139.35 141.89 37.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.042 1.337 . . . . 74.54 110.05 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -125.43 173.29 8.99 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.276 0.63 . . . . 73.43 110.034 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -82.65 122.68 28.44 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 122.754 0.422 . . . . 72.3 111.151 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.94 36.54 4.11 Favored Glycine 0 N--CA 1.473 1.121 0 N-CA-C 111.088 -0.805 . . . . 65.1 111.088 174.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.31 107.81 3.43 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.234 1.014 . . . . 74.14 111.23 -172.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -139.85 139.68 36.36 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.283 1.033 . . . . 71.35 108.578 172.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -63.25 151.43 40.56 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.048 0.539 . . . . 74.0 111.531 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -40.71 94.98 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 125.454 1.502 . . . . 75.03 113.654 -176.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -110.45 134.7 52.09 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.097 -0.956 . . . . 75.35 111.967 -167.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -124.4 98.17 5.63 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.611 0.764 . . . . 75.1 110.646 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -133.79 177.97 7.3 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.195 1.398 . . . . 71.31 109.419 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.4 t60 . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.299 0.571 . . . . 74.32 110.186 179.704 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.122 -0.325 . . . . 74.35 110.122 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -85.57 110.18 19.06 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.089 0.556 . . . . 73.42 109.753 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -97.53 139.61 33.19 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 110.145 -0.316 . . . . 75.24 110.145 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -102.32 167.36 10.03 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.486 0.55 . . . . 73.02 112.486 -174.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.402 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -139.39 146.87 40.72 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.371 1.069 . . . . 74.44 110.388 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 m -108.69 136.64 47.94 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.839 0.856 . . . . 72.44 110.864 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.504 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.3 mp -118.63 133.45 65.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 108.385 -0.968 . . . . 74.43 108.385 170.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.4 m -144.45 112.65 6.43 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.996 0.518 . . . . 74.31 110.739 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.424 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 41.0 m-85 -74.67 146.78 42.06 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.123 0.569 . . . . 75.54 110.346 173.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -145.39 144.69 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 C-N-CA 124.565 1.146 . . . . 72.51 109.555 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -90.92 113.45 25.67 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.808 0.443 . . . . 73.31 110.637 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.33 -23.39 66.99 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.71 0.404 . . . . 72.01 110.755 168.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.604 ' HB2' ' HG3' ' A' ' 77' ' ' LYS . 25.8 t70 -62.13 -34.74 76.95 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.891 1.276 . . . . 75.15 111.68 171.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.88 28.6 7.81 Favored 'General case' 0 CA--C 1.566 1.569 0 C-N-CA 123.68 0.792 . . . . 73.53 110.918 -173.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.37 27.59 72.5 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 115.294 0.878 . . . . 53.14 115.294 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.82 27.5 45.99 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 114.02 0.368 . . . . 73.34 114.02 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 133.53 36.18 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.344 0.658 . . . . 72.11 111.922 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -61.71 133.09 55.14 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 113.533 0.938 . . . . 74.11 113.533 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.513 HG21 HD13 ' A' ' 76' ' ' LEU . 46.7 t -87.47 105.53 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.835 0.854 . . . . 74.52 109.629 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.19 -134.31 33.92 Favored Glycine 0 CA--C 1.542 1.747 0 N-CA-C 114.462 0.545 . . . . 74.12 114.462 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -96.53 -172.84 2.6 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.798 0.839 . . . . 74.43 112.461 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.4 mt -104.31 136.9 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 124.34 1.056 . . . . 74.43 110.25 173.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.504 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 44.2 t -96.24 148.47 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.288 0.635 . . . . 73.13 109.818 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.7 m -136.51 133.63 36.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.931 -0.481 . . . . 74.11 111.244 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.46 164.16 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.722 0.809 . . . . 73.04 110.059 173.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -134.27 149.16 50.9 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.918 0.487 . . . . 63.22 111.645 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.7 -121.23 0.64 Allowed Glycine 0 CA--C 1.533 1.17 0 CA-C-N 115.741 -0.663 . . . . 63.43 112.196 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 30' ' ' ASP . 23.6 tptm -157.49 149.11 22.02 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 117.67 0.735 . . . . 64.24 111.616 -174.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.1 p -50.5 -41.99 54.13 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.397 1.079 . . . . 64.14 113.466 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 16.3 m-20 -64.5 -33.0 74.87 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.41 0.684 . . . . 71.4 112.323 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -103.94 149.92 24.67 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.625 0.726 . . . . 65.13 112.824 -169.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.7 p -106.97 152.91 23.34 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.223 1.009 . . . . 63.13 110.191 173.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 t -128.1 156.74 42.34 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.442 0.697 . . . . 73.11 111.015 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.2 p -110.7 115.51 29.7 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.244 0.618 . . . . 73.41 110.454 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -95.6 130.68 42.38 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.884 0.874 . . . . 73.43 109.931 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -83.59 115.96 22.37 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.363 0.529 . . . . 71.43 110.29 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.423 ' HA ' ' HH ' ' A' ' 9' ' ' TYR . 58.8 t -76.94 116.74 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 C-N-CA 123.237 0.615 . . . . 74.54 110.004 176.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -99.7 116.26 31.38 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.499 0.719 . . . . 62.12 109.722 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.1 mm -86.33 108.28 16.91 Favored Pre-proline 0 CA--C 1.563 1.461 0 C-N-CA 123.208 0.603 . . . . 74.4 110.367 -177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.19 161.59 44.12 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.955 2.436 . . . . 65.13 113.462 -176.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.98 118.63 11.42 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.53 0.732 . . . . 75.53 111.596 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.79 -7.38 67.77 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-N 116.152 -0.476 . . . . 75.13 113.337 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -108.09 137.13 46.6 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.118 0.967 . . . . 75.01 109.681 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -117.05 134.37 54.84 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.686 0.794 . . . . 70.44 110.355 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -64.7 114.1 4.21 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.68 0.392 . . . . 74.24 110.987 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.5 t -97.38 -50.87 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.249 0.62 . . . . 73.33 110.784 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.19 -173.98 38.62 Favored Glycine 0 N--CA 1.472 1.061 0 CA-C-N 116.06 -0.518 . . . . 73.41 113.396 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 m -138.85 142.51 38.63 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.586 0.754 . . . . 73.04 110.626 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -123.07 150.97 42.46 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.892 1.277 . . . . 61.43 109.897 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.72 -76.22 2.13 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 113.622 0.209 . . . . 73.25 113.622 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -86.8 178.18 48.43 Favored Glycine 0 N--CA 1.477 1.416 0 N-CA-C 113.924 0.33 . . . . 64.11 113.924 -176.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.0 t -94.9 107.35 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.682 -0.488 . . . . 74.25 109.682 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.2 p -80.56 148.99 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 CA-C-O 121.117 0.484 . . . . 71.24 111.829 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 t -67.85 160.16 28.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.334 0.654 . . . . 75.21 111.109 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.7 p -56.47 -37.39 70.24 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.882 0.873 . . . . 74.24 113.01 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.64 -18.33 35.75 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.15 0.58 . . . . 72.4 112.514 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.23 16.73 80.44 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 114.065 0.386 . . . . 71.45 114.065 -170.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -79.61 -26.15 41.27 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 122.956 0.502 . . . . 72.23 111.36 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.1 p -141.75 162.9 34.34 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.645 1.178 . . . . 75.02 111.206 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.59 HG13 HG11 ' A' ' 72' ' ' VAL . 69.5 t -132.36 127.08 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 124.236 1.014 . . . . 74.21 110.155 172.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.6 m -78.27 104.91 9.16 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.101 0.56 . . . . 74.41 109.769 170.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.515 HG12 HG23 ' A' ' 72' ' ' VAL . 36.1 mt -98.36 133.86 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.887 0.875 . . . . 74.43 109.19 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.1 m -121.91 131.05 53.82 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.429 -0.582 . . . . 74.13 109.429 173.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -73.44 116.22 13.75 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.694 0.798 . . . . 74.23 111.633 -168.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.671 ' HB2' ' HB3' ' A' ' 69' ' ' SER . . . -148.97 114.64 5.64 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.019 0.528 . . . . 74.11 110.484 177.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.62 3.64 2.33 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 114.157 1.169 . . . . 71.44 114.157 -176.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.36 45.17 1.22 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.716 0.807 . . . . 74.41 111.08 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 57.33 25.18 10.9 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.556 1.542 . . . . 74.43 113.303 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.671 ' HB3' ' HB2' ' A' ' 65' ' ' ALA . 44.6 t -101.21 -9.61 21.12 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.258 0.623 . . . . 73.55 111.374 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.402 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 9.2 p-10 -76.51 -26.36 55.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.035 0.934 . . . . 73.52 112.251 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -84.96 126.51 33.58 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 121.442 0.639 . . . . 74.14 111.746 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.59 HG11 HG13 ' A' ' 60' ' ' VAL . 59.6 t -118.18 120.81 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.882 1.273 . . . . 65.42 109.734 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.92 107.84 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.096 0 C-N-CA 123.125 0.57 . . . . 52.11 110.838 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.9 mm -84.53 142.36 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 109.564 -0.532 . . . . 75.23 109.564 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -111.67 132.49 54.56 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.14 0.576 . . . . 51.51 111.58 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.513 HD13 HG21 ' A' ' 19' ' ' VAL . 98.5 mt -133.05 168.27 18.79 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.932 1.293 . . . . 75.53 110.75 -176.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.604 ' HG3' ' HB2' ' A' ' 13' ' ' ASP . 79.7 tttt -146.17 143.8 29.52 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 120.9 0.381 . . . . 65.32 111.802 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -84.95 124.3 31.51 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.933 0.493 . . . . 74.34 110.411 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.46 135.75 5.77 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 114.072 0.389 . . . . 64.35 114.072 -177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.49 113.7 0.88 Allowed 'General case' 0 CA--C 1.565 1.531 0 C-N-CA 123.846 0.858 . . . . 75.11 112.337 171.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -54.55 -40.44 68.71 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.31 1.044 . . . . 72.1 112.929 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -62.95 -33.99 76.55 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 122.973 0.509 . . . . 75.13 112.106 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -68.28 -47.32 67.97 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.676 0.39 . . . . 73.5 110.885 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.1 t60 58.53 26.15 13.98 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.45 1.1 . . . . 75.44 112.761 169.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -71.38 124.46 24.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.199 0.6 . . . . 74.41 112.113 -173.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -77.34 92.78 3.95 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.175 0.59 . . . . 75.14 111.178 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 123.348 0.659 . . . . 74.01 110.56 173.803 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mmt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.424 -0.584 . . . . 72.31 109.424 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.77 85.69 0.28 Allowed 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 125.694 1.598 . . . . 71.01 108.035 -177.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -91.41 158.29 16.6 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.226 1.01 . . . . 71.2 112.547 -163.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -97.54 162.29 13.37 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.488 0.661 . . . . 63.44 112.493 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.474 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -141.82 117.94 10.67 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 114.63 -1.168 . . . . 74.33 108.171 168.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.9 m -104.52 125.03 50.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.467 0.707 . . . . 74.51 111.698 -169.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.67 126.97 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 123.654 0.782 . . . . 71.11 108.924 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.6 m -131.53 112.09 12.34 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.75 0.309 . . . . 74.44 111.421 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -80.06 128.23 33.25 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.999 0.519 . . . . 75.42 109.701 170.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.96 154.63 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 124.395 1.078 . . . . 72.03 109.554 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -106.29 122.86 47.09 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 121.591 0.71 . . . . 71.21 112.05 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.24 -38.39 26.49 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 126.066 1.746 . . . . 44.33 113.332 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.91 -33.45 75.74 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.759 0.824 . . . . 54.42 112.965 -171.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -113.11 30.69 6.99 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.671 0.788 . . . . 73.33 110.852 -176.173 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.49 28.32 72.52 Favored Glycine 0 CA--C 1.534 1.258 0 N-CA-C 114.977 0.751 . . . . 71.43 114.977 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.49 55.22 2.5 Favored Glycine 0 CA--C 1.534 1.235 0 N-CA-C 114.066 0.386 . . . . 75.52 114.066 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.73 140.0 31.96 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.151 0.475 . . . . 73.31 110.838 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 21' ' ' ASP . 44.3 tt0 -61.45 125.17 22.82 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.981 0.913 . . . . 74.53 113.127 -173.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.6 t -98.7 110.27 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.386 1.074 . . . . 75.53 109.26 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.28 -110.16 3.05 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 112.091 -0.404 . . . . 65.43 112.091 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.557 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 3.5 p30 -149.61 178.65 8.65 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.398 0.618 . . . . 74.14 112.06 175.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.4 mt -92.94 128.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 C-N-CA 123.709 0.804 . . . . 74.42 110.862 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.4 t -100.71 101.85 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.617 0.767 . . . . 73.23 109.478 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -108.25 117.79 35.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 122.01 -0.432 . . . . 73.41 110.262 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.62 156.74 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.482 0.713 . . . . 72.1 111.348 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.2 p -111.65 151.1 29.23 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 122.979 0.512 . . . . 73.14 111.957 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.14 -137.45 2.45 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-N 115.836 -0.62 . . . . 74.35 112.619 -175.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -134.28 149.39 50.92 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.445 0.698 . . . . 74.51 110.497 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.0 p -48.07 -46.41 33.62 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.792 0.837 . . . . 74.42 113.235 172.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.08 -25.64 55.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.465 0.706 . . . . 73.33 112.088 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.89 152.35 21.29 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.587 0.708 . . . . 75.31 112.275 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -138.26 167.5 21.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.288 1.035 . . . . 73.22 110.276 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -148.97 161.08 42.63 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.463 0.705 . . . . 72.2 111.236 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.0 p -111.95 116.01 29.9 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.098 0.559 . . . . 70.2 109.919 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -99.43 123.17 43.47 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.322 1.049 . . . . 74.2 110.106 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -73.42 126.78 30.95 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.006 0.431 . . . . 65.1 110.834 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.62 127.52 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.366 0.666 . . . . 75.22 109.742 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.9 m -110.7 107.65 17.28 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.129 0.972 . . . . 70.3 110.235 -172.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.4 mm -90.74 111.57 48.58 Favored Pre-proline 0 CA--C 1.562 1.44 0 C-N-CA 123.606 0.762 . . . . 74.11 110.474 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.48 162.54 39.81 Favored 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 123.224 2.616 . . . . 71.24 113.491 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.06 128.67 36.72 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.489 0.716 . . . . 74.13 111.511 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.63 6.56 83.03 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 116.116 -0.493 . . . . 74.45 113.759 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.444 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . 82.1 m-85 -119.91 141.66 49.41 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.752 0.821 . . . . 74.3 110.415 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -120.76 123.19 42.05 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.255 1.022 . . . . 72.12 109.669 -173.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' HA ' HD21 ' A' ' 76' ' ' LEU . 70.5 t80 -58.81 129.23 41.13 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.903 0.705 . . . . 75.42 112.903 -176.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.91 -65.71 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 124.064 0.945 . . . . 75.44 110.167 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.72 167.69 40.03 Favored Glycine 0 C--N 1.343 0.952 0 CA-C-N 115.506 -0.77 . . . . 35.32 112.817 -172.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.4 m -118.97 135.37 54.64 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.348 1.059 . . . . 75.53 109.884 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.78 150.68 35.03 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.819 0.848 . . . . 63.21 110.397 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.07 -69.65 1.35 Allowed Glycine 0 CA--C 1.532 1.127 0 CA-C-N 116.356 -0.384 . . . . 72.14 113.424 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.68 -173.78 44.31 Favored Glycine 0 N--CA 1.476 1.365 0 N-CA-C 113.867 0.307 . . . . 70.23 113.867 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -102.28 112.25 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 C-N-CA 123.176 0.59 . . . . 75.13 109.531 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.401 HG22 ' OH ' ' A' ' 45' ' ' TYR . 9.9 p -84.51 154.67 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-O 121.395 0.616 . . . . 63.44 111.608 -175.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.7 t -63.27 160.07 16.54 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.862 1.265 . . . . 74.02 112.167 172.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.4 m -67.57 -33.9 75.96 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.392 0.677 . . . . 74.43 111.251 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.59 -13.26 43.3 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.698 0.799 . . . . 73.45 111.789 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.93 23.64 77.48 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-N 116.542 -0.299 . . . . 64.2 113.214 -172.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -79.4 -25.1 42.17 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.237 0.615 . . . . 71.53 112.18 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 t -151.49 172.34 16.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.696 0.798 . . . . 74.34 110.919 -175.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 p -147.13 127.88 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 124.161 0.985 . . . . 73.35 110.525 177.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -79.79 107.92 12.95 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.134 0.573 . . . . 72.02 109.869 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 72' ' ' VAL . 30.0 mt -112.8 133.44 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.378 1.071 . . . . 73.14 110.677 -177.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.4 m -113.82 143.51 44.54 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.188 0.595 . . . . 61.2 110.328 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -78.63 139.91 38.49 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.562 0.745 . . . . 74.25 110.804 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.05 140.2 32.52 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.099 0.407 . . . . 72.25 112.099 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.79 -17.85 58.78 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.164 0.586 . . . . 72.41 110.895 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -93.08 179.61 5.38 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.893 0.877 . . . . 63.43 109.628 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -83.85 28.76 0.57 Allowed 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 123.425 0.69 . . . . 73.13 111.891 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -90.03 -3.38 58.0 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.333 1.053 . . . . 74.14 111.937 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.474 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 9.8 p-10 -81.33 -40.57 23.37 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.418 1.087 . . . . 72.51 113.536 -175.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -66.44 121.4 15.22 Favored 'General case' 0 CA--C 1.557 1.214 0 N-CA-C 113.848 1.055 . . . . 75.53 113.848 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 62' ' ' ILE . 76.0 t -110.05 125.01 67.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 125.428 1.491 . . . . 72.11 110.175 175.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.92 120.24 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.344 0.658 . . . . 74.14 111.072 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.0 mm -92.74 137.47 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 124.043 0.937 . . . . 71.51 109.45 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -116.0 139.54 50.16 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 123.459 0.704 . . . . 75.22 111.168 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.444 ' HB3' ' HB3' ' A' ' 43' ' ' TYR . 40.7 mt -139.16 139.07 37.48 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 123.936 0.894 . . . . 65.54 111.897 -175.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -93.36 159.32 15.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.721 -1.237 . . . . 74.23 110.047 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -84.12 149.98 25.84 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 122.057 -0.402 . . . . 73.24 110.932 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.87 96.9 1.92 Allowed Glycine 0 CA--C 1.532 1.105 0 CA-C-N 116.028 -0.533 . . . . 71.41 112.066 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mp -75.43 -65.42 0.89 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.151 0.581 . . . . 73.34 110.617 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 50.26 85.17 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 124.632 1.173 . . . . 73.22 112.211 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 72.82 -40.76 0.48 Allowed 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 125.133 1.373 . . . . 75.01 112.988 -173.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -62.29 137.71 58.3 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.58 0.752 . . . . 74.24 112.631 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -106.37 143.29 34.7 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.763 0.825 . . . . 73.22 111.198 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -136.67 165.49 25.78 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.93 0.892 . . . . 72.42 111.287 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 67.74 16.77 9.79 Favored 'General case' 0 CA--C 1.571 1.763 0 C-N-CA 124.936 1.295 . . . . 73.35 112.319 175.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.2 t60 . . . . . 0 N--CA 1.487 1.401 0 C-N-CA 123.635 0.774 . . . . 74.25 110.01 179.464 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.589 0.233 . . . . 65.45 110.572 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -168.46 97.92 0.41 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.902 1.281 . . . . 74.13 108.468 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -92.25 140.56 29.49 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.911 -0.493 . . . . 73.42 110.629 -168.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -117.38 155.06 30.25 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.217 0.607 . . . . 62.5 111.665 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.87 133.11 39.34 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.966 0.907 . . . . 65.44 109.611 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.5 p -112.54 136.14 52.42 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.175 0.59 . . . . 61.34 111.487 -169.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.04 115.2 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 123.614 0.766 . . . . 73.33 109.413 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.3 m -112.94 112.88 24.67 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.322 0.649 . . . . 72.13 110.806 -176.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -78.88 136.59 37.34 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.274 0.63 . . . . 74.41 109.951 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.0 145.29 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 C-N-CA 123.712 0.805 . . . . 72.54 111.103 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -106.65 127.12 53.09 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.445 0.698 . . . . 74.55 111.492 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.66 -38.39 89.21 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.566 1.147 . . . . 64.24 112.002 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -78.76 0.71 25.78 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.402 0.681 . . . . 74.21 112.582 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.88 18.29 14.04 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 123.303 0.641 . . . . 73.15 109.953 172.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.87 37.55 60.84 Favored Glycine 0 C--N 1.354 1.554 0 N-CA-C 114.214 0.446 . . . . 63.03 114.214 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.09 32.26 69.32 Favored Glycine 0 CA--C 1.54 1.633 0 N-CA-C 113.67 0.228 . . . . 71.0 113.67 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.65 147.39 27.72 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.184 0.594 . . . . 64.52 111.974 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.444 HE21 ' HA ' ' A' ' 21' ' ' ASP . 49.7 tt0 -61.28 125.05 22.37 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 123.462 0.705 . . . . 73.31 112.683 -175.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.2 t -92.12 110.35 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.994 0.918 . . . . 75.02 109.357 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.72 -104.01 1.46 Allowed Glycine 0 CA--C 1.535 1.329 0 CA-C-N 116.247 -0.433 . . . . 72.11 113.334 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.444 ' HA ' HE21 ' A' ' 18' ' ' GLN . 38.9 t70 -149.98 155.72 40.45 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 123.161 0.584 . . . . 75.21 111.383 -172.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.32 139.86 17.42 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 C-N-CA 124.077 0.951 . . . . 74.14 111.044 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG21 ' HH ' ' A' ' 35' ' ' TYR . 46.3 t -104.74 102.8 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.194 0.998 . . . . 75.33 110.276 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.9 m -94.85 137.99 33.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.87 -0.519 . . . . 73.0 110.95 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -124.09 139.89 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.907 0.883 . . . . 64.22 110.097 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -121.19 136.12 55.03 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 123.006 0.522 . . . . 75.04 111.608 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.31 -133.5 1.63 Allowed Glycine 0 CA--C 1.536 1.378 0 CA-C-N 115.559 -0.746 . . . . 75.44 111.882 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -135.87 151.52 50.1 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 117.842 0.821 . . . . 73.14 111.155 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.3 m -57.91 -29.82 65.4 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.029 0.932 . . . . 73.34 113.124 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.62 -33.12 73.38 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.748 0.819 . . . . 62.21 112.771 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -115.19 153.47 30.77 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.522 0.729 . . . . 75.34 111.889 -177.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 p -115.88 148.65 39.75 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.803 0.841 . . . . 63.23 111.178 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -116.03 138.42 51.24 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.182 0.993 . . . . 62.51 110.513 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -102.42 109.1 20.64 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.84 -0.538 . . . . 75.21 109.725 176.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.482 ' HH ' HG21 ' A' ' 23' ' ' VAL . 64.5 t80 -91.36 133.18 35.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.838 0.855 . . . . 74.23 110.837 -175.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -83.67 124.02 30.41 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.167 0.587 . . . . 72.55 110.871 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.0 t -76.53 126.91 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 123.407 0.683 . . . . 71.41 110.552 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 m -113.52 106.03 14.07 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.133 0.973 . . . . 70.04 109.976 -172.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.5 mm -91.64 111.33 48.79 Favored Pre-proline 0 CA--C 1.563 1.466 0 C-N-CA 122.959 0.504 . . . . 64.55 110.887 -175.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.66 163.67 36.76 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.812 2.341 . . . . 73.24 114.098 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.77 131.47 48.97 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.072 0.949 . . . . 71.5 112.352 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.533 ' HA2' ' HB3' ' A' ' 80' ' ' LEU . . . 96.04 -21.36 45.52 Favored Glycine 0 C--N 1.349 1.285 0 CA-C-N 116.195 -0.457 . . . . 71.35 112.9 -177.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -108.97 164.15 12.66 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.691 0.796 . . . . 73.14 111.037 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' HB2' ' HA3' ' A' ' 79' ' ' GLY . 3.9 tm-20 -149.92 141.88 23.86 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.939 0.896 . . . . 71.34 109.196 -172.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -71.28 130.24 40.9 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 113.254 0.835 . . . . 74.34 113.254 -172.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.48 -62.72 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 123.423 0.689 . . . . 74.51 110.603 172.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.32 -173.97 37.38 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 116.03 -0.532 . . . . 74.33 113.176 -171.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.613 HG23 HG13 ' A' ' 72' ' ' VAL . 12.8 m -134.16 138.81 45.43 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.96 0.904 . . . . 72.21 110.76 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.483 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 32.1 t70 -123.07 102.98 8.29 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.522 0.729 . . . . 75.34 110.02 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.71 147.7 12.65 Favored Glycine 0 N--CA 1.48 1.608 0 CA-C-O 119.899 -0.39 . . . . 73.31 112.272 -172.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.47 -163.98 52.85 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 117.368 0.584 . . . . 72.54 113.964 -176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.24 107.74 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 123.551 0.74 . . . . 74.35 109.595 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 60' ' ' VAL . 12.3 p -87.63 151.65 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 CA-C-O 121.229 0.538 . . . . 74.13 112.131 -176.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 t -69.74 150.47 46.9 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.904 0.882 . . . . 72.02 110.614 169.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.9 m -61.15 -29.48 69.81 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.327 0.651 . . . . 75.14 111.983 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 58' ' ' LYS . 4.2 m-20 -82.47 -18.39 41.89 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.929 0.892 . . . . 75.44 111.873 178.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.13 22.55 78.5 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 113.736 0.254 . . . . 75.15 113.736 -173.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HG2' ' HB2' ' A' ' 56' ' ' ASP . 11.3 ptmm? -82.62 -34.97 27.4 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.879 0.872 . . . . 74.35 112.29 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 p -145.34 148.33 33.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.446 1.098 . . . . 73.0 110.634 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 53' ' ' VAL . 47.1 t -124.27 123.15 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.601 0.76 . . . . 74.34 109.642 174.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.7 m -71.64 110.41 6.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.229 0.612 . . . . 73.21 110.062 169.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.403 HG12 HG23 ' A' ' 72' ' ' VAL . 45.8 mt -113.94 146.26 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.437 1.095 . . . . 75.32 109.465 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.6 m -122.13 144.16 49.11 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 109.021 -0.733 . . . . 74.24 109.021 172.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -68.54 113.33 5.98 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 120.946 0.403 . . . . 75.34 110.973 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.56 141.33 47.66 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.395 0.678 . . . . 72.33 111.166 -171.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.18 17.94 1.52 Allowed 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 112.765 0.654 . . . . 73.44 112.765 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -149.97 -173.14 4.34 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.101 0.96 . . . . 71.25 111.111 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -83.03 -0.08 47.24 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 114.56 1.319 . . . . 64.45 114.56 -171.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -55.16 -37.84 67.52 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 112.737 0.643 . . . . 75.22 112.737 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -118.58 5.79 11.66 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.773 0.829 . . . . 72.24 112.066 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -75.63 102.81 5.48 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.666 -0.865 . . . . 72.53 108.666 167.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.613 HG13 HG23 ' A' ' 48' ' ' THR . 74.9 t -87.86 119.73 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 123.969 0.908 . . . . 74.3 111.147 -167.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.483 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 55.6 t -101.92 106.37 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 108.994 -0.743 . . . . 73.11 108.994 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 mm -84.21 111.3 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.716 -0.846 . . . . 74.43 108.716 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -85.1 131.71 34.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.817 0.447 . . . . 74.14 110.01 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.7 mt -126.06 167.83 14.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.546 1.138 . . . . 74.03 109.838 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -151.54 167.22 28.73 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.201 1.0 . . . . 74.02 108.87 171.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -72.39 115.58 11.81 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 121.116 0.484 . . . . 72.25 111.129 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.428 ' HA3' ' HB2' ' A' ' 44' ' ' GLU . . . -116.06 12.08 17.27 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 115.518 -0.765 . . . . 65.04 111.561 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.533 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . 59.2 tp -157.97 134.07 9.35 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.334 1.453 . . . . 73.1 108.564 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -72.12 157.75 37.2 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.95 0.5 . . . . 72.25 110.285 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -64.15 85.15 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.619 0.768 . . . . 74.42 112.182 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -121.61 114.57 21.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.785 1.234 . . . . 63.04 108.576 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -155.12 128.27 8.27 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 122.789 0.436 . . . . 73.52 112.042 -170.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -96.37 -43.65 7.57 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.018 0.927 . . . . 71.53 110.124 174.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -116.23 154.77 29.51 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.016 0.926 . . . . 74.43 110.521 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.5 t60 . . . . . 0 N--CA 1.487 1.414 0 C-N-CA 123.349 0.66 . . . . 72.55 110.794 178.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptm . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.066 0.46 . . . . 74.51 111.674 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.59 113.4 6.84 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 109.751 -0.463 . . . . 73.23 109.751 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -97.53 152.99 18.45 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.249 0.547 . . . . 72.0 111.844 -173.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.447 ' HB3' HG22 ' A' ' 26' ' ' THR . 0.6 OUTLIER -115.2 165.08 13.32 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.709 0.803 . . . . 73.22 112.04 -178.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.21 131.56 20.86 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.642 1.177 . . . . 75.55 109.794 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 p -101.88 146.83 27.29 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.15 0.58 . . . . 74.42 111.449 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.478 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.8 mp -116.33 118.13 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 108.699 -0.852 . . . . 72.44 108.699 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -110.09 108.53 18.75 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.102 0.961 . . . . 71.21 110.771 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.69 131.48 37.73 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.817 0.447 . . . . 74.54 110.196 171.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -131.08 157.93 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.852 0.861 . . . . 72.14 110.937 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -116.91 98.49 6.52 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.88 0.872 . . . . 70.22 109.421 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.15 -20.99 63.34 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.355 1.462 . . . . 71.33 113.195 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.35 -29.06 69.66 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.791 0.836 . . . . 75.32 110.943 173.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -119.37 30.72 6.96 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.094 0.958 . . . . 73.13 110.816 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.43 40.67 91.35 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.854 -0.612 . . . . 62.5 114.503 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.42 46.01 7.12 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 114.346 0.498 . . . . 74.44 114.346 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.57 125.36 29.09 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.302 0.641 . . . . 72.24 111.2 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.16 124.79 21.35 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.287 0.565 . . . . 75.11 112.183 -173.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.4 t -100.54 112.96 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 123.657 0.783 . . . . 73.51 110.052 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.72 -110.36 3.05 Favored Glycine 0 CA--C 1.54 1.644 0 N-CA-C 114.111 0.405 . . . . 54.25 114.111 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -143.54 157.93 44.05 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.368 0.667 . . . . 74.1 111.611 -171.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.3 mm -85.25 135.21 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.744 0.817 . . . . 71.33 110.63 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.478 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 35.3 t -104.31 105.03 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.142 0.577 . . . . 63.33 110.957 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 m -92.0 127.08 37.34 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 122.069 -0.394 . . . . 74.51 110.331 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.3 m -123.16 144.96 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.045 0.938 . . . . 72.5 109.987 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.447 HG22 ' HB3' ' A' ' 4' ' ' ASP . 22.3 p -112.05 151.36 29.45 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 123.099 0.56 . . . . 71.12 112.297 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.88 -134.08 2.34 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 115.796 -0.638 . . . . 50.03 113.62 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -133.28 138.93 46.64 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 122.22 -0.577 . . . . 75.33 111.273 -166.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 m -43.37 -51.33 6.48 Favored 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 125.224 1.409 . . . . 74.54 113.673 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -76.32 -32.52 58.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.278 0.631 . . . . 74.12 112.487 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -83.86 146.28 28.17 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.759 0.651 . . . . 72.01 112.759 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 p -107.2 138.01 44.2 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.515 -0.766 . . . . 72.33 109.75 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 61' ' ' THR . 14.3 t -97.72 161.48 13.74 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 123.84 0.856 . . . . 73.11 111.108 175.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.608 HG21 HG22 ' A' ' 61' ' ' THR . 58.6 p -111.6 111.78 23.02 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 121.2 0.524 . . . . 71.13 110.07 174.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.416 ' HH ' HG21 ' A' ' 23' ' ' VAL . 47.7 t80 -109.83 126.35 53.72 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.662 0.785 . . . . 74.44 109.074 171.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -80.25 135.53 36.27 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.849 0.357 . . . . 75.32 110.892 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.6 t -75.26 126.52 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 C-N-CA 123.586 0.754 . . . . 74.03 110.133 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 m -105.24 105.47 15.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.868 0.867 . . . . 65.22 108.917 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.3 mm -86.71 113.7 54.32 Favored Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 123.391 0.676 . . . . 64.23 110.558 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -75.96 156.09 38.72 Favored 'Trans proline' 0 C--N 1.372 1.788 0 C-N-CA 122.355 2.036 . . . . 72.11 112.602 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.8 136.29 56.73 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.425 0.69 . . . . 71.41 111.297 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.84 -25.53 23.1 Favored Glycine 0 N--CA 1.478 1.473 0 CA-C-N 116.462 -0.335 . . . . 71.14 113.472 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -100.05 144.66 28.83 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.667 0.787 . . . . 70.25 110.051 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.3 133.07 52.76 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.74 0.816 . . . . 75.03 109.542 -173.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -67.64 116.79 8.75 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.29 1.036 . . . . 73.31 112.626 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.699 HG23 ' HD2' ' A' ' 77' ' ' LYS . 48.7 t -81.55 -55.38 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-O 121.628 0.728 . . . . 75.13 109.461 173.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.59 -170.55 42.31 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 114.782 -1.099 . . . . 72.43 112.436 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.5 m -126.3 134.02 51.24 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.64 0.776 . . . . 75.41 110.739 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -121.34 121.1 36.91 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.962 0.905 . . . . 62.53 109.242 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.39 148.99 23.8 Favored Glycine 0 N--CA 1.479 1.539 0 N-CA-C 112.223 -0.351 . . . . 64.12 112.223 -172.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.31 -155.72 46.24 Favored Glycine 0 CA--C 1.535 1.327 0 CA-C-N 117.066 0.433 . . . . 65.23 113.218 -174.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.5 t -125.63 108.79 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.752 -0.833 . . . . 74.41 108.752 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -75.11 144.49 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 O-C-N 122.136 -0.352 . . . . 75.35 110.415 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.5 t -58.28 155.27 11.86 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.857 0.863 . . . . 71.33 112.212 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.5 p -64.39 -24.73 67.74 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.19 0.596 . . . . 71.51 111.643 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.36 -19.43 42.75 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.778 0.831 . . . . 73.14 111.771 175.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.34 3.07 56.49 Favored Glycine 0 CA--C 1.542 1.732 0 CA-C-N 116.431 -0.349 . . . . 71.43 113.846 -172.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -79.2 -37.36 38.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.618 0.767 . . . . 74.04 111.894 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.5 p -121.42 162.77 19.85 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.48 0.712 . . . . 64.43 110.597 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.496 HG13 HG13 ' A' ' 72' ' ' VAL . 68.0 t -128.96 132.36 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.142 0.977 . . . . 75.23 108.944 171.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.608 HG22 HG21 ' A' ' 34' ' ' THR . 69.9 p -93.27 106.47 18.43 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 122.683 0.393 . . . . 73.52 110.069 172.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 mp -99.8 129.1 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.999 0.52 . . . . 73.54 109.998 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.4 m -99.79 138.9 36.23 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.687 -0.486 . . . . 75.02 109.687 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -82.03 137.35 35.1 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.49 0.716 . . . . 75.02 112.453 -168.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.47 147.62 41.59 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.66 0.784 . . . . 73.32 111.135 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.04 -23.23 60.56 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.429 0.692 . . . . 63.44 111.632 173.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -85.27 172.43 11.14 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.944 0.898 . . . . 75.54 111.338 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.88 26.05 0.53 Allowed 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 124.029 0.932 . . . . 72.24 111.958 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.0 m -93.21 -9.1 40.43 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.073 0.949 . . . . 63.21 111.232 168.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.16 -38.79 90.35 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.77 1.228 . . . . 64.33 112.56 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -75.9 130.04 37.89 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.898 -1.046 . . . . 73.52 113.661 -166.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG13 HG13 ' A' ' 60' ' ' VAL . 73.1 t -100.94 128.75 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 114.83 -1.077 . . . . 75.44 110.083 177.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.7 t -94.99 107.63 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.684 0.794 . . . . 74.12 109.614 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.0 mm -86.75 115.66 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.967 -0.753 . . . . 75.31 108.967 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -89.84 132.28 35.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.449 0.7 . . . . 74.22 111.755 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.6 mt -130.93 166.22 21.42 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.868 1.267 . . . . 74.15 109.621 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.699 ' HD2' HG23 ' A' ' 46' ' ' VAL . 13.6 ptmm? -157.63 150.78 23.38 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.898 0.479 . . . . 73.33 109.845 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -72.96 120.95 19.29 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 122.049 -0.407 . . . . 75.43 110.406 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -168.85 141.7 6.91 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 119.411 -0.66 . . . . 75.1 112.589 -174.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.6 tp 60.76 43.86 11.72 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 122.426 1.108 . . . . 63.33 108.991 -171.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.89 144.98 34.4 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.707 -1.133 . . . . 61.12 111.553 -169.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -91.31 153.93 19.59 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.149 0.98 . . . . 63.33 112.047 -165.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -75.74 133.52 40.71 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.791 -0.448 . . . . 73.15 109.791 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 62.63 35.69 14.08 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 124.58 1.152 . . . . 71.21 110.564 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -71.4 132.16 44.4 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 115.467 -0.788 . . . . 73.55 112.562 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.4 m170 29.36 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 126.663 1.985 . . . . 75.32 115.019 167.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 . . . . . 0 N--CA 1.485 1.284 0 C-N-CA 123.298 0.639 . . . . 75.42 112.121 -178.595 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.5 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 112.588 0.588 . . . . 73.4 112.588 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.03 117.26 33.14 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.977 0.911 . . . . 74.11 110.816 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' HB2' ' HB3' ' A' ' 64' ' ' PHE . 16.5 mm-40 -91.89 163.68 13.94 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.938 0.895 . . . . 63.41 111.214 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -121.97 141.92 50.84 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.473 0.709 . . . . 75.23 111.255 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.45 138.05 51.21 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.384 1.074 . . . . 73.13 110.766 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -115.11 129.12 56.6 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.438 0.695 . . . . 65.4 111.685 -174.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.43 HD11 ' HB ' ' A' ' 72' ' ' VAL . 25.4 mm -94.0 113.04 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.568 -0.901 . . . . 75.01 108.568 172.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.5 m -110.41 102.08 10.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.22 1.008 . . . . 54.2 110.247 -171.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -77.28 120.24 22.04 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.494 -0.558 . . . . 73.03 109.494 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.459 ' HB ' ' HA2' ' A' ' 16' ' ' GLY . 27.4 m -119.45 144.28 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.191 0.597 . . . . 73.33 110.807 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.47 90.1 5.06 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.615 -0.883 . . . . 72.0 108.615 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.15 -31.24 67.03 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.978 1.311 . . . . 71.23 111.744 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.522 ' HB2' ' HA ' ' A' ' 77' ' ' LYS . 13.8 t70 -64.56 -22.4 66.96 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.907 0.883 . . . . 74.24 111.319 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -113.86 23.08 13.36 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.228 1.011 . . . . 74.21 110.735 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.58 26.16 70.71 Favored Glycine 0 N--CA 1.482 1.761 0 N-CA-C 115.193 0.837 . . . . 72.44 115.193 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.459 ' HA2' ' HB ' ' A' ' 10' ' ' VAL . . . 94.74 101.38 1.75 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 122.799 0.238 . . . . 52.43 113.35 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.41 132.99 19.8 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.778 0.831 . . . . 74.04 109.896 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -63.22 117.27 6.33 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.57 0.7 . . . . 74.41 112.399 -173.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.3 t -124.27 144.84 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 125.108 1.363 . . . . 74.12 109.586 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.56 -113.37 4.8 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 114.466 0.547 . . . . 72.33 114.466 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -121.78 146.32 47.18 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 113.173 0.805 . . . . 73.15 113.173 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mt -96.76 111.61 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 108.149 -1.056 . . . . 74.35 108.149 162.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.447 HG23 ' HH ' ' A' ' 35' ' ' TYR . 48.5 t -100.39 102.26 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-O 120.782 0.325 . . . . 74.43 110.559 -174.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -96.63 112.27 24.08 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.087 0.555 . . . . 72.54 110.666 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.34 152.79 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.416 0.686 . . . . 74.03 110.13 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -123.61 147.2 47.57 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 122.812 0.445 . . . . 73.24 111.878 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.16 171.23 36.91 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 116.084 -0.507 . . . . 75.54 112.309 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -92.67 160.81 14.82 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 117.496 0.648 . . . . 75.25 109.743 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.6 t -55.0 -28.14 49.61 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 114.916 1.45 . . . . 74.25 114.916 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.43 -28.08 61.79 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.682 0.793 . . . . 52.21 111.551 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -90.28 132.18 35.68 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.725 0.81 . . . . 61.14 111.426 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.7 p -119.37 139.83 51.36 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.7 0.8 . . . . 73.41 109.582 172.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -126.52 162.32 25.91 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.27 1.028 . . . . 74.3 110.179 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -125.65 113.95 18.05 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.116 0.484 . . . . 74.41 110.995 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.447 ' HH ' HG23 ' A' ' 23' ' ' VAL . 68.4 t80 -92.13 136.02 33.52 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.25 1.02 . . . . 72.15 110.288 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.2 m -89.83 118.81 29.69 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.539 0.335 . . . . 71.51 110.141 174.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.5 t -75.3 126.21 35.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 123.95 0.9 . . . . 70.4 110.954 -175.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.2 m -113.04 102.79 10.74 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.549 1.14 . . . . 74.33 109.848 -173.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.616 HD11 HD23 ' A' ' 76' ' ' LEU . 23.4 mm -88.96 118.52 69.32 Favored Pre-proline 0 N--CA 1.484 1.254 0 C-N-CA 122.928 0.491 . . . . 73.0 110.578 -178.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -62.46 135.93 56.21 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.603 2.202 . . . . 70.44 112.29 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -64.96 136.47 56.85 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 122.945 0.498 . . . . 70.12 111.039 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.16 -20.66 39.88 Favored Glycine 0 N--CA 1.478 1.444 0 CA-C-N 116.135 -0.484 . . . . 75.22 112.385 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -107.04 146.47 31.12 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.253 1.021 . . . . 74.41 109.547 175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -111.0 137.48 48.58 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.041 0.448 . . . . 73.4 110.492 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -66.71 107.99 2.33 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.039 0.936 . . . . 75.12 111.195 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.6 t -81.21 -42.66 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-O 121.363 0.601 . . . . 73.44 109.429 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.05 -177.06 38.4 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.163 -0.926 . . . . 64.42 113.344 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.1 m -111.8 141.85 44.91 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.322 1.049 . . . . 61.13 110.437 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -125.96 119.24 27.2 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.854 0.861 . . . . 64.52 109.259 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.53 154.56 31.13 Favored Glycine 0 N--CA 1.482 1.732 0 CA-C-N 117.758 0.254 . . . . 71.05 113.08 -175.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.65 -152.36 49.1 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 117.027 0.413 . . . . 74.42 113.406 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.457 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 91.0 t -128.93 105.74 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 123.3 0.64 . . . . 74.11 109.824 175.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.0 137.35 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 CA-C-O 121.242 0.544 . . . . 54.35 111.264 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.3 t -78.64 169.74 17.77 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.681 0.792 . . . . 73.21 111.583 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.0 p -57.14 -45.46 83.51 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.233 1.013 . . . . 64.42 113.671 -171.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -89.28 -3.23 58.6 Favored 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 123.051 0.54 . . . . 74.22 111.357 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.82 8.72 78.12 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 115.317 0.887 . . . . 71.13 115.317 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -76.97 -27.19 54.67 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.497 0.719 . . . . 74.24 112.813 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.6 p -135.89 141.86 44.62 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.493 0.717 . . . . 71.13 111.721 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 80.7 t -126.78 126.91 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.024 0.93 . . . . 75.22 110.066 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.457 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 68.6 m -75.12 125.67 29.43 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.429 0.691 . . . . 73.15 111.026 174.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.6 mt -101.07 114.93 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 125.049 1.34 . . . . 74.43 108.904 172.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 m -121.57 117.57 27.08 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.232 -0.655 . . . . 73.55 109.232 174.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HB3' ' HB2' ' A' ' 3' ' ' GLU . 56.1 m-85 -69.68 144.01 52.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.688 0.795 . . . . 74.43 111.237 -171.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.62 156.27 36.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.855 0.462 . . . . 63.53 111.904 -177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.13 -20.91 63.22 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.481 0.712 . . . . 61.31 111.855 169.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -97.64 130.37 44.66 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.124 0.969 . . . . 73.44 108.871 167.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -72.78 72.27 1.06 Allowed 'General case' 0 CA--C 1.568 1.654 0 CA-C-O 122.321 1.058 . . . . 74.21 112.54 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.8 m -111.56 5.04 19.17 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.322 1.049 . . . . 72.41 110.635 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.19 -17.66 15.87 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.24 1.416 . . . . 75.32 111.611 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -78.44 108.13 11.58 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.44 0.696 . . . . 74.25 109.296 175.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.43 ' HB ' HD11 ' A' ' 7' ' ' ILE . 66.0 t -101.67 119.04 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.32 0.648 . . . . 73.53 111.291 -171.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.1 t -99.73 111.39 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 C-N-CA 123.935 0.894 . . . . 75.53 110.339 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.1 mm -89.42 116.79 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.258 0.623 . . . . 71.21 109.972 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -89.55 125.25 35.14 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.231 0.613 . . . . 73.22 110.593 -178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.616 HD23 HD11 ' A' ' 39' ' ' ILE . 88.3 mt -126.72 135.91 51.75 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.263 0.625 . . . . 72.43 111.72 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.522 ' HA ' ' HB2' ' A' ' 13' ' ' ASP . 22.1 ptmt -100.62 171.51 7.66 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.285 0.634 . . . . 74.32 110.157 174.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -88.39 145.77 25.61 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.63 -0.508 . . . . 75.5 109.63 170.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.47 174.75 55.04 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 113.975 0.35 . . . . 74.02 113.975 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mp -83.87 34.46 0.5 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.761 0.824 . . . . 71.11 110.78 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -72.25 131.62 42.97 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.027 1.331 . . . . 75.15 109.324 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -71.96 86.09 1.0 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.229 0.537 . . . . 72.5 110.478 -178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -106.06 121.9 45.07 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.198 0.599 . . . . 73.25 111.004 -174.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -81.55 112.29 18.64 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.311 0.645 . . . . 74.53 109.801 172.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -63.27 110.64 1.96 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 123.241 0.616 . . . . 73.41 110.194 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -77.51 -58.42 3.28 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.337 0.655 . . . . 72.03 112.715 -171.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 121.598 0.713 . . . . 70.33 111.28 -178.254 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 mtt . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.416 -0.216 . . . . 75.12 110.416 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.0 105.52 4.5 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.509 -0.552 . . . . 73.04 109.509 171.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.555 ' HG3' HG23 ' A' ' 29' ' ' THR . 24.9 mm-40 -85.08 163.88 18.54 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.177 0.991 . . . . 73.4 110.749 -174.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -150.38 166.35 30.34 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 121.176 0.512 . . . . 74.04 112.113 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.07 144.64 31.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.261 1.024 . . . . 74.02 110.271 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.1 p -109.48 142.52 40.38 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.194 0.597 . . . . 74.43 111.442 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.517 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 48.4 mt -123.13 121.28 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 123.988 0.915 . . . . 73.03 110.779 -174.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -122.93 115.9 22.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.29 0.636 . . . . 71.43 110.969 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.09 140.74 34.9 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.994 0.518 . . . . 71.1 109.73 169.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.31 153.05 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.991 0.916 . . . . 74.53 110.106 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -112.33 102.34 10.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.738 0.815 . . . . 75.2 109.783 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.55 -30.15 62.77 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.498 1.519 . . . . 75.33 112.185 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.8 -30.5 71.51 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.803 0.841 . . . . 72.25 111.646 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -110.07 45.15 1.13 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.147 0.979 . . . . 72.34 110.297 175.476 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.48 23.72 68.78 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.376 0.91 . . . . 72.44 115.376 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.75 39.17 6.69 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 116.955 0.378 . . . . 52.35 112.859 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.97 117.67 12.76 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.506 0.722 . . . . 65.42 111.887 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.13 127.71 33.21 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 123.384 0.674 . . . . 74.03 111.956 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -104.2 106.05 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.918 0.887 . . . . 74.23 108.918 -177.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.83 -160.12 48.35 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 116.864 -0.153 . . . . 73.24 112.917 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -106.51 177.03 4.98 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.314 0.646 . . . . 72.12 111.889 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.3 mt -81.05 125.3 39.45 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.329 0 CA-C-N 115.57 -0.741 . . . . 74.03 110.657 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.517 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 51.7 t -101.36 116.65 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.991 0.916 . . . . 75.43 110.173 -175.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 m -99.84 115.1 28.8 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.93 0.492 . . . . 71.4 110.877 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.483 HG23 ' HE1' ' A' ' 64' ' ' PHE . 20.9 m -104.51 141.1 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.243 0.617 . . . . 65.02 110.504 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -109.76 164.83 12.19 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 112.964 0.727 . . . . 75.15 112.964 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.92 -132.75 2.7 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.079 -0.509 . . . . 71.25 113.656 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HG3' ' H ' ' A' ' 30' ' ' ASP . 5.4 tppp? -144.22 150.57 38.18 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.857 0.863 . . . . 74.11 109.901 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.555 HG23 ' HG3' ' A' ' 3' ' ' GLU . 21.2 p -47.28 -28.37 1.93 Allowed 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 114.373 1.249 . . . . 75.4 114.373 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.529 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 36.7 t70 -77.37 -38.9 49.14 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 123.536 0.734 . . . . 75.04 112.724 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.78 164.67 12.13 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 122.015 0.912 . . . . 75.53 112.784 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.4 p -131.57 162.13 31.03 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 114.421 -1.263 . . . . 74.11 111.058 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 t -137.62 161.06 37.47 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.056 0.942 . . . . 74.54 110.868 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.3 p -116.58 110.52 18.65 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.131 0.572 . . . . 73.52 109.958 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -83.21 141.17 32.1 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.066 0.947 . . . . 71.34 111.244 -177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -85.92 111.17 19.98 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.319 0.648 . . . . 70.33 110.198 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.2 t -82.76 110.43 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.399 0.68 . . . . 72.23 109.933 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.9 p -101.77 110.02 21.91 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.491 0.717 . . . . 74.35 110.249 -173.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.1 mm -91.37 114.83 63.01 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 123.954 0.901 . . . . 73.15 109.943 -175.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.41 167.71 23.18 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.701 2.267 . . . . 71.44 114.007 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -60.66 134.26 56.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.1 0.96 . . . . 53.02 112.354 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.35 -3.53 84.45 Favored Glycine 0 CA--C 1.54 1.639 0 CA-C-O 119.668 -0.518 . . . . 70.51 114.197 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -107.16 153.98 21.87 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.601 0.76 . . . . 74.3 111.374 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -128.72 137.28 51.51 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.956 1.302 . . . . 74.32 109.741 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.408 ' OH ' HG21 ' A' ' 53' ' ' VAL . 82.1 t80 -72.96 137.15 45.32 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.857 0.463 . . . . 73.32 111.971 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.05 -62.53 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 123.658 0.783 . . . . 64.05 111.318 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.86 -175.67 46.08 Favored Glycine 0 N--CA 1.482 1.714 0 N-CA-C 114.579 0.592 . . . . 51.11 114.579 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.5 m -132.85 141.4 48.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.103 0.961 . . . . 75.4 111.396 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.17 149.24 36.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.892 0.877 . . . . 65.24 109.77 170.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.0 -65.09 4.17 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 122.866 0.269 . . . . 65.45 113.388 -178.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.26 172.25 53.8 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 113.934 0.334 . . . . 54.1 113.934 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.83 112.11 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 123.858 0.863 . . . . 71.25 110.062 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.408 HG21 ' OH ' ' A' ' 45' ' ' TYR . 10.2 p -108.58 155.17 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.195 0.521 . . . . 73.22 112.149 -173.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p -84.02 157.07 21.96 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.629 0.772 . . . . 73.11 110.51 171.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.7 t -67.07 -23.42 65.86 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.51 0.724 . . . . 60.21 112.174 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.07 -20.72 64.98 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.845 0.683 . . . . 75.11 112.845 173.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.94 17.45 69.6 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 115.589 0.995 . . . . 75.43 115.589 174.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -102.37 -36.68 8.36 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.566 0.746 . . . . 74.33 111.296 177.223 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.7 p -114.07 126.38 55.04 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.234 0.614 . . . . 74.45 111.058 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 5.7 p -119.01 115.39 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.521 0.728 . . . . 75.34 109.675 169.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.8 m -71.68 116.85 12.53 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.333 0.653 . . . . 73.15 111.164 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.5 mt -105.62 121.85 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.687 1.195 . . . . 74.42 109.304 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 m -117.99 106.46 12.94 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.293 -0.632 . . . . 75.43 109.293 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 29' ' ' THR . 49.1 m-85 -54.95 135.9 47.99 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.336 1.054 . . . . 74.31 112.672 -169.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.28 136.14 23.38 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.654 0.382 . . . . 62.24 111.63 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.48 -10.31 57.5 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.469 0.708 . . . . 73.43 112.498 174.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -72.28 -29.26 63.71 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.857 0.863 . . . . 75.44 111.463 173.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 65.21 76.36 0.34 Allowed 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.482 1.113 . . . . 72.15 111.199 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.6 t -152.18 7.79 0.46 Allowed 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 123.892 0.877 . . . . 63.11 111.189 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -107.32 1.1 23.54 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.023 1.329 . . . . 74.43 111.072 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -66.55 137.42 56.76 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.968 1.307 . . . . 72.44 111.021 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 72.1 t -96.87 123.18 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 123.512 0.725 . . . . 72.25 111.775 -171.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.2 104.7 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.344 -0.613 . . . . 73.11 109.344 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.0 mm -85.47 135.97 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.469 0.707 . . . . 74.33 109.872 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -114.8 133.54 55.85 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.515 0.726 . . . . 75.13 110.397 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.3 mt -131.9 155.97 46.94 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.304 1.042 . . . . 72.24 110.834 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -134.95 169.97 16.59 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.062 0.545 . . . . 74.35 110.148 171.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -96.78 135.46 38.7 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 122.205 -0.309 . . . . 72.24 111.114 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.34 -53.35 6.12 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 111.139 -0.785 . . . . 61.41 111.139 174.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.544 ' H ' HD21 ' A' ' 80' ' ' LEU . 2.5 pt? -111.78 150.14 30.71 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.984 0.913 . . . . 72.34 109.999 168.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.3 178.05 4.67 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.395 0.678 . . . . 74.11 111.035 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -92.63 17.83 9.63 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.805 0.842 . . . . 74.42 111.109 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -129.85 145.71 51.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.144 0.977 . . . . 74.54 110.371 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -66.44 156.21 35.33 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.902 0.481 . . . . 73.33 111.573 175.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -58.7 123.67 17.15 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.896 0.878 . . . . 73.44 112.111 -170.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -88.0 115.26 25.34 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.415 0.686 . . . . 74.24 112.24 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.4 t60 . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 123.778 0.831 . . . . 72.01 110.704 178.581 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 110.213 -0.291 . . . . 71.35 110.213 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -82.89 112.44 19.69 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.342 0.592 . . . . 75.42 111.298 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -101.27 162.41 12.91 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.28 0.632 . . . . 64.13 111.372 -179.068 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -120.86 167.68 12.27 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.374 0.67 . . . . 74.12 112.228 -174.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.28 135.04 38.64 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.044 0.938 . . . . 71.34 110.045 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -102.28 126.01 49.15 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.61 0.764 . . . . 70.01 110.465 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.612 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mp -106.34 108.82 26.04 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.777 0.831 . . . . 74.41 109.069 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.9 m -121.04 118.13 29.0 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.569 0.748 . . . . 74.31 110.387 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.456 ' HD2' HD13 ' A' ' 76' ' ' LEU . 11.7 m-85 -74.21 144.69 44.62 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.478 0.711 . . . . 63.31 109.25 171.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.8 m -142.32 135.46 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 C-N-CA 123.165 0.586 . . . . 73.31 111.734 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.37 116.1 16.74 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.992 0.517 . . . . 72.43 109.994 165.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.18 -25.22 68.24 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 123.414 0.685 . . . . 62.41 110.508 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.03 -20.2 63.27 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.83 1.252 . . . . 71.43 112.209 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.14 16.68 23.86 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.414 0.686 . . . . 74.42 110.584 -178.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.91 34.97 71.8 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 116.377 -0.374 . . . . 74.4 113.563 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.02 30.38 38.46 Favored Glycine 0 CA--C 1.54 1.625 0 N-CA-C 114.279 0.472 . . . . 63.25 114.279 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.46 155.28 17.33 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.489 0.716 . . . . 62.0 111.52 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.04 138.74 57.4 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 115.554 1.687 . . . . 74.12 115.554 -164.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.39 129.96 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.724 1.21 . . . . 71.32 109.784 167.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.91 -106.05 2.0 Allowed Glycine 0 CA--C 1.535 1.338 0 N-CA-C 114.205 0.442 . . . . 63.43 114.205 170.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -154.45 153.75 32.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.083 0.553 . . . . 74.32 111.333 -173.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt -80.96 137.11 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.641 0.776 . . . . 75.35 110.751 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.612 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 39.6 t -105.9 147.55 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 124.287 1.035 . . . . 73.02 109.026 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -133.7 120.93 21.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.679 -0.638 . . . . 74.4 110.307 175.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.0 m -110.81 142.35 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.208 0.603 . . . . 72.51 110.372 174.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.7 p -121.97 137.78 54.67 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 123.461 0.704 . . . . 72.12 110.997 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.72 -142.63 3.53 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 116.25 -0.432 . . . . 74.25 112.305 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -129.23 144.44 51.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.049 0.54 . . . . 75.44 110.805 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -53.68 -33.34 55.06 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.418 1.266 . . . . 64.52 114.418 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.22 -31.61 71.23 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 123.428 0.691 . . . . 74.44 111.976 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -98.55 162.89 12.9 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.43 0.692 . . . . 71.44 111.688 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.0 p -132.67 155.44 48.77 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.779 0.799 . . . . 53.24 111.215 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 t -132.0 162.11 31.52 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.883 1.273 . . . . 71.32 109.947 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 m -123.96 127.49 48.03 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 120.946 0.403 . . . . 75.23 111.209 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.532 ' HH ' HG23 ' A' ' 23' ' ' VAL . 87.8 t80 -113.64 130.93 56.31 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.346 1.058 . . . . 74.22 109.866 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -89.9 141.2 28.87 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.075 0.464 . . . . 75.44 111.39 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.476 HG21 HD11 ' A' ' 74' ' ' ILE . 61.1 t -77.3 132.68 32.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.195 0.998 . . . . 73.54 109.767 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.9 p -103.13 106.76 17.34 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.836 0.854 . . . . 74.35 109.187 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.8 mm -93.74 109.53 41.85 Favored Pre-proline 0 N--CA 1.482 1.134 0 C-N-CA 123.507 0.723 . . . . 74.32 110.333 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.16 145.58 24.56 Favored 'Trans proline' 0 C--N 1.373 1.82 0 C-N-CA 122.172 1.915 . . . . 74.44 112.589 174.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.88 115.51 3.75 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.672 0.789 . . . . 71.51 110.849 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.92 -21.89 9.37 Favored Glycine 0 N--CA 1.479 1.534 0 C-N-CA 123.251 0.453 . . . . 74.45 112.135 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -108.98 157.91 18.21 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.444 1.098 . . . . 75.51 109.497 172.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.56 143.49 37.37 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 109.267 -0.642 . . . . 73.23 109.267 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -71.09 131.38 43.52 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.762 0.825 . . . . 72.44 112.952 -173.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.0 t -101.77 -60.84 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.617 0.767 . . . . 73.24 110.382 171.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.06 -164.82 29.73 Favored Glycine 0 N--CA 1.475 1.249 0 CA-C-N 116.513 -0.312 . . . . 64.22 113.332 -173.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -147.99 141.08 24.97 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.053 0.941 . . . . 73.34 110.595 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -121.52 151.33 40.42 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.792 1.237 . . . . 64.53 110.328 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.44 -68.7 3.48 Favored Glycine 0 N--CA 1.477 1.376 0 N-CA-C 113.886 0.315 . . . . 70.43 113.886 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.542 ' HA3' HG21 ' A' ' 72' ' ' VAL . . . -76.72 153.55 42.44 Favored Glycine 0 CA--C 1.536 1.403 0 CA-C-O 119.928 -0.373 . . . . 52.3 112.222 175.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.95 107.24 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 117.231 0.516 . . . . 73.34 110.224 -173.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.5 p -91.62 147.1 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 C-N-CA 123.426 0.69 . . . . 73.31 111.684 -174.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.8 p -73.2 172.65 10.72 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.718 0.807 . . . . 73.31 112.388 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.0 t -65.62 -33.64 76.38 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.74 0.816 . . . . 62.23 112.035 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.18 -18.04 35.32 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.493 0.717 . . . . 72.01 111.839 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.69 -20.96 28.75 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 115.145 0.818 . . . . 73.04 115.145 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -67.16 -42.86 83.6 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 117.505 0.652 . . . . 74.11 112.117 -174.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.1 p -106.19 121.75 44.82 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.004 0.522 . . . . 73.44 111.318 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.55 114.04 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.123 0.969 . . . . 74.33 109.762 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.1 m -82.99 112.12 19.47 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.438 0.637 . . . . 63.42 110.485 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 mt -93.12 123.51 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 C-N-CA 124.469 1.108 . . . . 73.31 109.986 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.1 m -122.62 111.06 16.31 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 109.597 -0.52 . . . . 75.24 109.597 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.538 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 53.9 m-85 -58.43 156.76 9.81 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.845 1.258 . . . . 75.51 112.349 -174.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.66 152.51 30.91 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 112.281 0.474 . . . . 73.13 112.281 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.65 -24.79 67.93 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.857 0.863 . . . . 72.24 111.369 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -107.53 107.75 18.74 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.119 0.967 . . . . 73.22 108.693 168.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.494 ' HB2' HD22 ' A' ' 71' ' ' ASN . 5.2 p-10 -70.5 91.98 0.81 Allowed 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 122.114 0.959 . . . . 65.41 113.505 -168.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 t -125.96 12.59 7.82 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.526 1.131 . . . . 65.31 109.536 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -105.98 -4.66 20.3 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.2 1.4 . . . . 75.13 112.419 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.494 HD22 ' HB2' ' A' ' 68' ' ' ASP . 36.4 m-80 -66.27 132.82 49.27 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.379 0.671 . . . . 75.35 110.525 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.542 HG21 ' HA3' ' A' ' 51' ' ' GLY . 64.0 t -99.57 119.32 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.316 0.647 . . . . 74.33 110.887 -171.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.9 t -111.37 99.94 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.717 0.807 . . . . 62.02 108.969 175.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.476 HD11 HG21 ' A' ' 37' ' ' VAL . 68.6 mt -85.53 115.34 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.846 0.458 . . . . 75.33 110.149 -175.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -85.43 131.23 34.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.653 0.781 . . . . 74.33 111.351 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.456 HD13 ' HD2' ' A' ' 9' ' ' TYR . 86.5 mt -133.89 148.62 51.27 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.68 1.192 . . . . 74.44 110.732 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -112.95 172.41 6.95 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.591 0.757 . . . . 72.14 109.487 167.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -85.59 129.62 34.78 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.915 -0.772 . . . . 75.53 108.915 165.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.28 -115.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.698 -0.501 . . . . 75.1 112.471 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.0 mt 55.57 27.01 9.78 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.145 0.978 . . . . 55.33 111.847 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.91 82.34 2.81 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.499 0.72 . . . . 75.05 111.125 -172.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -86.2 65.86 9.28 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.882 0.873 . . . . 74.1 109.786 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -142.91 158.35 43.7 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.294 1.038 . . . . 71.35 110.326 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -83.38 83.6 7.82 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 109.298 -0.63 . . . . 62.2 109.298 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -125.1 78.2 1.69 Allowed 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.106 0.479 . . . . 74.04 112.006 -172.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 47.92 74.13 0.18 Allowed 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 125.27 1.428 . . . . 74.33 113.343 173.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 N--CA 1.49 1.564 0 C-N-CA 123.846 0.858 . . . . 73.44 111.591 -177.759 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.7 mtm . . . . . 0 N--CA 1.498 1.944 0 CA-C-O 119.948 -0.072 . . . . 61.42 111.105 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -60.34 113.73 2.55 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 109.304 -0.628 . . . . 71.34 109.304 170.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -87.35 140.02 29.97 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.199 -0.455 . . . . 75.43 111.54 -160.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -116.7 131.66 56.89 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.12 0.568 . . . . 63.51 111.081 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.77 130.37 56.82 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.981 0.912 . . . . 64.3 109.345 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.4 t -111.85 139.59 47.21 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.291 0.567 . . . . 72.1 111.725 -173.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.66 109.76 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 123.933 0.893 . . . . 72.14 109.233 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -101.67 112.33 24.88 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.257 1.023 . . . . 73.4 110.644 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -82.86 120.54 25.78 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.637 0.375 . . . . 73.32 110.158 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.8 m -123.06 150.95 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-O 121.859 0.837 . . . . 75.51 111.358 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -93.41 97.84 10.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.793 1.237 . . . . 74.53 108.054 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.41 -27.91 68.88 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.33 1.052 . . . . 70.32 112.624 -173.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -86.8 -8.71 57.09 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.417 0.687 . . . . 71.41 112.774 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -114.49 39.68 2.74 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.56 0.695 . . . . 74.24 109.949 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.08 23.81 68.16 Favored Glycine 0 N--CA 1.483 1.777 0 N-CA-C 114.951 0.74 . . . . 74.14 114.951 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.02 41.73 26.59 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-O 120.155 -0.247 . . . . 71.51 113.458 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.44 133.84 39.73 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.298 0.639 . . . . 75.45 112.009 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -60.5 124.24 19.77 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.043 0.449 . . . . 75.14 112.033 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.69 106.4 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 124.451 1.1 . . . . 75.23 109.626 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.46 -109.49 2.86 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 116.694 -0.23 . . . . 71.01 113.438 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -137.69 165.33 26.65 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.788 0.835 . . . . 73.35 111.485 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.6 mt -95.39 140.96 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.945 0.898 . . . . 52.32 111.355 -174.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -103.18 101.77 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.302 0.641 . . . . 72.14 110.621 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.4 m -99.64 134.43 42.54 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 122.897 0.479 . . . . 65.41 110.59 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.3 m -123.54 151.24 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 123.739 0.816 . . . . 71.21 110.794 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.2 p -112.36 155.99 23.22 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.454 0.702 . . . . 62.13 111.709 -177.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.96 -126.67 1.1 Allowed Glycine 0 C--N 1.343 0.962 0 CA-C-N 115.625 -0.716 . . . . 74.01 111.754 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -159.16 150.86 20.56 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 117.382 0.591 . . . . 73.51 109.663 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.485 HG23 ' HA ' ' A' ' 65' ' ' ALA . 49.6 p -51.16 -39.68 56.9 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 114.232 1.197 . . . . 74.32 114.232 -176.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.62 -29.51 64.75 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.515 0.726 . . . . 72.11 111.548 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.89 157.22 19.57 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.016 0.926 . . . . 75.11 112.106 -176.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.6 p -145.7 159.02 43.77 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 115.385 -0.825 . . . . 74.24 111.081 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -150.26 162.0 41.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.878 0.871 . . . . 71.11 111.183 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.2 p -104.04 125.83 50.69 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.448 0.699 . . . . 74.04 110.053 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -113.22 128.29 56.43 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.064 0.946 . . . . 72.32 109.925 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 m -84.24 131.17 34.77 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 110.307 -0.257 . . . . 74.24 110.307 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.24 134.76 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.849 0.86 . . . . 72.43 110.893 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m -110.29 115.99 30.67 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.907 0.883 . . . . 74.1 110.279 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.7 mm -99.95 114.96 65.91 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 123.315 0.646 . . . . 75.12 110.045 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.32 159.72 50.97 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.254 1.969 . . . . 73.52 113.186 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.84 138.77 58.58 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.316 0.646 . . . . 74.13 111.316 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.85 -0.04 89.87 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 115.881 -0.6 . . . . 63.41 113.51 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -113.49 160.61 18.29 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.818 0.847 . . . . 75.11 111.457 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 77' ' ' LYS . 37.8 mt-10 -127.57 157.09 41.11 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.839 1.256 . . . . 74.13 109.266 176.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -82.63 130.2 35.08 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 118.097 0.408 . . . . 72.11 111.274 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.55 HG22 ' HG3' ' A' ' 77' ' ' LYS . 69.9 t -99.21 -65.16 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 123.409 0.683 . . . . 73.44 110.592 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.78 168.22 40.06 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 115.837 -0.62 . . . . 71.44 113.554 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.486 HG22 HG13 ' A' ' 72' ' ' VAL . 22.2 m -107.88 132.87 53.0 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.85 0.86 . . . . 60.1 110.895 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.449 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 38.8 t70 -115.3 150.16 36.7 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.96 0.904 . . . . 71.51 110.359 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.77 -72.2 2.87 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 122.606 0.146 . . . . 72.35 113.277 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.68 ' HA3' HG22 ' A' ' 72' ' ' VAL . . . -84.22 -173.11 49.61 Favored Glycine 0 N--CA 1.475 1.268 0 N-CA-C 114.332 0.493 . . . . 50.51 114.332 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.488 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 30.8 t -94.57 138.08 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.462 0.705 . . . . 71.51 110.353 -177.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HB ' ' HB ' ' A' ' 48' ' ' THR . 13.9 p -113.41 147.79 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.25 0.62 . . . . 73.43 111.741 -177.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 t -66.51 165.3 14.77 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.881 0.872 . . . . 75.14 112.042 171.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.8 t -61.57 -32.43 72.52 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.886 0.874 . . . . 71.4 111.847 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.45 -19.16 33.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.604 0.762 . . . . 74.24 112.455 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.35 14.4 71.68 Favored Glycine 0 N--CA 1.486 1.986 0 CA-C-O 121.364 0.425 . . . . 42.23 113.173 -165.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -84.84 -43.13 14.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.155 1.382 . . . . 71.25 111.157 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.0 p -123.43 164.72 18.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.197 0.999 . . . . 74.54 110.149 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.0 m -133.56 133.55 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.448 1.099 . . . . 75.45 109.972 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.488 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 50.5 m -78.5 104.41 9.08 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.228 0.611 . . . . 75.14 110.309 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.0 mm -85.84 105.0 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.303 0.641 . . . . 74.44 109.578 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.8 m -117.23 120.59 38.72 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.091 -1.078 . . . . 75.22 108.091 173.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -70.06 148.15 49.15 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.41 0.684 . . . . 73.13 111.264 -171.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.485 ' HA ' HG23 ' A' ' 29' ' ' THR . . . -153.39 155.28 36.09 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.53 0.732 . . . . 64.32 110.446 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.99 32.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 122.81 0.444 . . . . 72.25 111.251 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -132.36 -161.03 1.1 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.421 1.088 . . . . 65.32 110.834 -168.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -105.44 -1.07 25.41 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.116 0.966 . . . . 73.14 111.048 171.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.2 t -77.37 -19.93 55.51 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.316 1.046 . . . . 71.04 112.389 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.86 -21.88 31.85 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.104 0.962 . . . . 74.52 110.925 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -68.52 124.27 23.13 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.822 0.849 . . . . 64.41 109.711 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.68 HG22 ' HA3' ' A' ' 51' ' ' GLY . 96.6 t -111.03 118.82 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.004 0.922 . . . . 71.54 110.17 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 47.8 t -108.09 110.14 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.457 0.703 . . . . 72.0 109.863 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 43.7 mm -89.33 115.22 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.531 0.733 . . . . 75.43 109.962 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -91.66 134.87 34.32 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.265 0.626 . . . . 72.14 109.981 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.5 mt -128.17 138.51 52.52 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.712 0.634 . . . . 75.23 112.712 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.592 ' HZ2' ' HB3' ' A' ' 77' ' ' LYS . 6.7 mtpm? -93.14 172.24 8.43 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.617 0.767 . . . . 75.22 111.006 173.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -100.08 142.78 31.09 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.289 -0.869 . . . . 75.24 110.775 166.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.19 -162.68 29.57 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 111.109 -0.796 . . . . 72.52 111.109 167.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.5 mt -91.9 107.64 19.36 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.246 0.523 . . . . 74.31 110.48 173.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -78.39 159.84 28.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.969 0.507 . . . . 73.35 111.325 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -91.16 124.13 35.14 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.673 -1.232 . . . . 73.54 107.673 164.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -50.38 110.17 0.38 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.35 1.06 . . . . 73.53 112.0 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -133.5 139.14 46.47 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.373 0.669 . . . . 71.54 111.893 -170.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -86.38 98.35 10.95 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.425 0.69 . . . . 72.43 109.83 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -138.97 135.91 34.84 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.205 0.602 . . . . 75.11 111.237 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.3 t60 . . . . . 0 N--CA 1.484 1.249 0 C-N-CA 123.66 0.784 . . . . 65.42 110.665 177.172 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.8 mtp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.684 0.278 . . . . 71.23 110.515 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -88.36 121.5 30.82 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.561 -0.903 . . . . 74.51 108.561 171.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -84.17 139.88 32.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.365 0.266 . . . . 74.13 111.39 -164.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -116.09 168.2 10.31 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.639 0.607 . . . . 71.42 112.639 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.555 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -148.05 132.36 17.5 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.129 -0.941 . . . . 62.34 110.872 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 71' ' ' ASN . 75.4 p -97.76 135.75 39.09 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.739 0.816 . . . . 73.34 110.692 -175.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.539 ' HB ' HG22 ' A' ' 23' ' ' VAL . 13.0 mt -123.51 118.84 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.115 0.566 . . . . 70.41 109.805 -178.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.4 m -117.39 120.03 36.92 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.32 0.648 . . . . 71.42 111.586 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -84.66 134.26 34.37 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.345 0.658 . . . . 73.44 110.025 171.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.35 136.03 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.872 0.869 . . . . 75.34 110.942 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -77.37 100.47 5.96 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.974 0.51 . . . . 72.34 110.165 168.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.49 ' HB3' ' HD1' ' A' ' 75' ' ' HIS . 8.7 p-10 -66.43 -20.19 65.99 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 121.129 0.49 . . . . 72.23 110.374 171.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -65.2 -28.18 69.2 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 124.828 1.251 . . . . 73.11 111.578 172.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.53 50.38 1.19 Allowed 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 123.456 0.702 . . . . 53.25 110.367 178.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.55 26.65 46.17 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 116.19 1.236 . . . . 72.12 116.19 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.21 39.23 7.44 Favored Glycine 0 N--CA 1.477 1.382 0 C-N-CA 123.091 0.377 . . . . 64.01 113.317 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.01 114.11 9.76 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.532 0.733 . . . . 63.32 111.485 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' A' ' 21' ' ' ASP . 52.6 tt0 -60.12 123.08 16.04 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.104 0.561 . . . . 74.13 111.767 -176.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.523 HG23 HD13 ' A' ' 76' ' ' LEU . 14.4 t -92.29 104.64 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.451 0.7 . . . . 75.22 109.514 -176.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.89 -94.63 0.79 Allowed Glycine 0 CA--C 1.538 1.506 0 CA-C-N 116.309 -0.405 . . . . 75.33 113.329 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.407 ' HA ' HE21 ' A' ' 18' ' ' GLN . 3.8 p-10 -155.68 -178.54 7.36 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.522 0.677 . . . . 73.54 112.797 -170.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.9 mt -105.18 134.16 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 C-N-CA 124.252 1.021 . . . . 74.12 109.937 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.544 HG21 ' HH ' ' A' ' 35' ' ' TYR . 6.8 m -109.96 116.63 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.427 0.691 . . . . 75.44 110.932 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -103.78 108.85 20.34 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.168 0.587 . . . . 70.11 110.695 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 m -97.56 143.26 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 123.039 0.536 . . . . 74.51 110.952 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -113.18 150.97 31.52 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.564 0.697 . . . . 64.11 112.83 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.35 -110.42 0.27 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 115.412 -0.813 . . . . 71.34 111.575 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -161.42 154.68 21.24 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 117.668 0.734 . . . . 75.32 111.455 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.0 p -52.44 -38.45 59.26 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.468 0.914 . . . . 73.32 113.468 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -86.88 16.22 5.1 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 123.981 0.912 . . . . 62.54 111.624 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -134.84 148.97 50.28 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.285 1.034 . . . . 74.11 110.334 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.0 p -133.33 141.38 47.92 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.537 0.735 . . . . 75.1 111.073 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 t -114.3 161.11 18.3 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.755 0.822 . . . . 72.13 111.242 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.5 p -110.53 105.76 14.82 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.548 0.739 . . . . 74.34 109.697 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.544 ' HH ' HG21 ' A' ' 23' ' ' VAL . 76.8 t80 -97.23 129.64 44.54 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.203 1.001 . . . . 73.32 110.031 -178.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.7 m -84.59 136.7 33.67 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.258 0.481 . . . . 73.32 111.026 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.2 t -75.74 130.97 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.056 0 C-N-CA 123.652 0.781 . . . . 74.1 110.266 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.9 p -103.39 120.85 41.59 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.04 0.936 . . . . 73.21 111.085 -177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 45' ' ' TYR . 49.5 mm -95.38 111.42 55.17 Favored Pre-proline 0 CA--C 1.56 1.36 0 C-N-CA 124.009 0.924 . . . . 64.05 111.074 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.615 ' HD2' ' HB2' ' A' ' 43' ' ' TYR . 4.6 Cg_exo -79.29 172.01 15.27 Favored 'Trans proline' 0 CA--C 1.566 2.102 0 C-N-CA 123.359 2.706 . . . . 73.43 113.326 175.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.38 105.97 2.77 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.843 0.857 . . . . 73.12 112.778 -174.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.82 11.92 51.78 Favored Glycine 0 N--CA 1.483 1.778 0 CA-C-N 116.211 -0.45 . . . . 52.02 114.053 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.615 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 45.0 m-85 -120.74 152.14 38.66 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 124.245 1.018 . . . . 62.33 109.906 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -137.44 140.18 41.1 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 123.417 0.687 . . . . 71.42 111.403 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.497 ' HB2' HD11 ' A' ' 39' ' ' ILE . 78.0 t80 -66.66 123.43 20.07 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.214 0.606 . . . . 75.22 112.181 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.4 t -99.01 -58.11 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.531 0.733 . . . . 75.11 111.229 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -170.2 -176.53 39.82 Favored Glycine 0 N--CA 1.476 1.359 0 CA-C-N 116.704 -0.225 . . . . 72.31 113.435 -173.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.1 m -146.65 137.24 23.89 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.898 0.879 . . . . 73.34 111.032 -177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -121.97 152.6 39.54 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.838 1.255 . . . . 72.04 110.139 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.14 -70.71 1.05 Allowed Glycine 0 N--CA 1.476 1.316 0 C-N-CA 122.533 0.111 . . . . 53.33 113.305 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.89 -171.05 47.38 Favored Glycine 0 N--CA 1.478 1.474 0 N-CA-C 113.907 0.323 . . . . 71.44 113.907 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -101.58 117.02 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 123.35 0.66 . . . . 72.35 110.081 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.1 p -87.22 140.07 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-O 120.907 0.384 . . . . 74.22 111.235 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -72.93 167.82 20.23 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.565 0.746 . . . . 72.12 111.986 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.0 p -62.51 -29.72 70.75 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.416 1.087 . . . . 72.34 113.14 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -88.46 -18.35 28.43 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.56 0.578 . . . . 70.45 112.56 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.25 -2.2 57.66 Favored Glycine 0 CA--C 1.545 1.924 0 N-CA-C 114.335 0.494 . . . . 70.55 114.335 -172.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -71.87 -35.65 69.86 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.143 0.977 . . . . 74.12 111.899 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.7 p -123.71 147.87 47.08 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.211 1.004 . . . . 65.5 110.657 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.3 m -125.28 117.49 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 C-N-CA 125.152 1.381 . . . . 75.35 109.561 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.1 m -71.0 113.16 7.75 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.441 0.696 . . . . 65.41 110.414 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 mm -98.79 116.86 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.686 0.795 . . . . 64.31 109.777 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.1 m -103.12 127.73 50.29 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 108.732 -0.84 . . . . 74.45 108.732 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.69 138.03 46.36 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.643 0.777 . . . . 72.31 110.929 -172.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.72 137.62 31.8 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 111.937 0.347 . . . . 72.12 111.937 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.19 -22.96 61.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.228 0.611 . . . . 64.12 110.944 169.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -84.5 173.5 10.79 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.14 0.976 . . . . 74.1 110.649 176.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.14 29.18 0.22 Allowed 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 123.726 0.81 . . . . 62.35 113.095 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.2 t -95.4 -7.83 37.32 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.895 0.878 . . . . 35.03 111.31 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.555 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 7.8 p-10 -75.86 -30.54 58.95 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.088 0.955 . . . . 73.34 111.996 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.8 p30 -73.62 96.58 2.49 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.79 0.805 . . . . 72.14 111.622 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.5 t -93.09 118.98 40.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 124.45 1.1 . . . . 64.21 109.738 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.6 t -99.17 107.25 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.121 0.568 . . . . 75.41 110.55 -175.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.8 mt -91.11 136.18 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.36 0.664 . . . . 71.31 109.285 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.49 ' HD1' ' HB3' ' A' ' 12' ' ' ASP . 43.9 m-70 -109.27 142.85 39.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.11 0.964 . . . . 74.35 111.334 -172.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.523 HD13 HG23 ' A' ' 19' ' ' VAL . 95.6 mt -134.68 160.16 39.01 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.614 1.166 . . . . 74.55 110.808 -178.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -138.22 148.28 44.63 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.763 0.425 . . . . 75.44 111.074 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -78.08 120.47 22.95 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.775 -0.454 . . . . 63.32 109.775 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.17 -111.3 0.51 Allowed Glycine 0 C--N 1.347 1.187 0 CA-C-N 116.739 -0.21 . . . . 62.21 112.875 -175.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.81 112.82 17.46 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 108.03 -1.1 . . . . 75.01 108.03 169.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -71.81 164.01 26.79 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.771 0.796 . . . . 71.1 112.354 -172.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.563 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . 63.1 m80 -82.56 -11.16 58.63 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 114.583 -1.19 . . . . 75.22 113.844 -160.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 24.7 p80 43.25 -76.07 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 126.744 2.018 . . . . 74.3 116.149 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -69.12 -34.54 75.2 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.418 0.687 . . . . 74.03 110.651 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.563 ' HB3' ' HB3' ' A' ' 82' ' ' HIS . 24.8 t60 -80.81 122.67 27.47 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 107.721 -1.214 . . . . 73.34 107.721 163.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -80.74 20.07 0.78 Allowed 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 114.161 1.171 . . . . 74.35 114.161 -165.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 121.948 0.88 . . . . 75.31 111.471 177.62 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 ttm . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 110.11 -0.33 . . . . 75.1 110.11 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -86.56 114.6 23.43 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 109.752 -0.462 . . . . 64.12 109.752 169.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -112.53 170.64 8.03 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.556 0.742 . . . . 75.31 112.17 -175.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -112.02 131.93 55.11 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.884 0.874 . . . . 73.15 111.944 -169.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.68 119.28 37.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.703 0.801 . . . . 71.1 109.462 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.519 ' OG1' HG22 ' A' ' 22' ' ' ILE . 9.6 t -98.23 139.75 33.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.373 0.606 . . . . 64.42 111.788 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.563 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mp -105.06 112.7 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 107.808 -1.182 . . . . 75.13 107.808 174.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -125.18 108.18 11.5 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.521 0.729 . . . . 72.24 109.939 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -74.73 140.4 44.09 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.14 -0.689 . . . . 75.31 109.14 172.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.3 m -144.21 145.71 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 124.265 1.026 . . . . 74.0 109.823 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -102.57 130.3 49.39 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.83 -0.544 . . . . 74.22 110.852 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.44 -29.01 68.74 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.301 1.04 . . . . 72.23 112.057 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.56 -37.16 57.32 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.533 1.133 . . . . 74.31 113.124 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.26 23.83 13.23 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 121.232 0.539 . . . . 74.15 110.279 -173.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.63 33.91 63.34 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 115.667 -0.697 . . . . 74.32 113.928 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.5 54.03 3.08 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-O 120.256 -0.191 . . . . 65.11 113.546 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.85 135.69 33.24 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 122.953 0.501 . . . . 54.55 110.979 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -64.05 128.19 34.73 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 123.375 0.67 . . . . 73.54 111.983 -174.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.9 t -109.77 123.15 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 124.76 1.224 . . . . 72.4 109.893 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.08 -116.02 4.23 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-O 120.042 -0.31 . . . . 73.13 112.922 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -147.17 166.34 27.27 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.536 0.684 . . . . 65.01 112.61 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.519 HG22 ' OG1' ' A' ' 6' ' ' THR . 2.4 mp -88.07 116.0 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 124.302 1.041 . . . . 72.11 109.66 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.563 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 60.2 t -105.97 101.92 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.289 0.635 . . . . 71.43 110.699 -173.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 p -92.37 125.11 36.88 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.763 -0.586 . . . . 72.11 111.82 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.9 m -108.91 151.07 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.228 1.011 . . . . 70.1 109.136 168.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.1 m -129.8 128.61 42.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 122.103 -0.373 . . . . 75.4 110.811 -175.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.55 -157.36 8.8 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 111.963 -0.455 . . . . 74.05 111.963 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -112.12 154.91 24.75 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.997 0.519 . . . . 70.3 110.7 -176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.5 p -59.3 -31.5 69.2 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.453 0.538 . . . . 71.4 112.453 171.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.76 -32.43 69.56 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.955 0.902 . . . . 75.41 111.361 172.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -90.28 153.36 20.52 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.222 1.009 . . . . 72.24 112.003 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.9 p -129.73 139.51 51.3 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.361 0.664 . . . . 63.53 110.481 172.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 HG22 ' HB ' ' A' ' 62' ' ' ILE . 9.8 t -116.73 161.81 18.66 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.371 1.068 . . . . 55.24 111.165 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.2 p -107.29 149.68 27.52 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.9 0.88 . . . . 73.4 111.119 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.444 ' CE2' HG21 ' A' ' 7' ' ' ILE . 77.8 t80 -142.0 126.31 17.6 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.021 0.529 . . . . 74.43 110.85 173.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.4 m -87.94 116.21 25.95 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.794 0.438 . . . . 75.42 110.144 173.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.29 125.25 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.599 0.76 . . . . 75.54 110.478 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.9 m -108.23 108.54 19.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.058 0.943 . . . . 75.05 109.929 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.46 HD11 HD23 ' A' ' 76' ' ' LEU . 37.6 mm -92.6 111.08 49.23 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 123.248 0.619 . . . . 73.32 110.386 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.31 146.64 57.32 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.207 1.938 . . . . 64.05 112.664 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.58 135.01 56.5 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 121.304 0.574 . . . . 73.32 111.829 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.6 -24.53 30.56 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 115.188 -0.914 . . . . 63.34 111.756 -168.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -103.93 144.48 31.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.241 0.616 . . . . 72.23 111.389 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.592 ' HB2' ' HB2' ' A' ' 77' ' ' LYS . 15.8 mm-40 -112.23 121.02 43.74 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.761 1.225 . . . . 71.33 110.155 -175.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -67.05 114.07 5.54 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 117.987 0.358 . . . . 74.43 111.806 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -96.68 -49.88 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.539 0.735 . . . . 74.14 110.602 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.43 174.27 46.09 Favored Glycine 0 N--CA 1.473 1.111 0 CA-C-N 115.771 -0.65 . . . . 74.4 112.284 -178.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.2 m -143.9 142.3 30.71 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 117.256 0.528 . . . . 72.52 111.017 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -112.09 154.65 25.1 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.575 1.15 . . . . 74.33 110.397 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.68 -85.82 0.41 Allowed Glycine 0 N--CA 1.477 1.405 0 CA-C-O 120.237 -0.202 . . . . 72.14 113.109 172.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.2 -160.54 36.62 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 114.382 0.513 . . . . 71.44 114.382 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.426 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 88.2 t -93.0 106.23 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.674 0.79 . . . . 72.33 109.355 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.3 t -90.34 143.28 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.668 0.387 . . . . 73.45 111.495 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -67.83 162.11 24.78 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.189 0.996 . . . . 75.43 111.876 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 p -55.39 -39.41 70.12 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.063 0.945 . . . . 73.33 112.011 176.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -94.57 -2.3 51.77 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.679 0.792 . . . . 64.44 111.8 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.52 30.32 76.28 Favored Glycine 0 C--N 1.357 1.72 0 C-N-CA 122.673 0.177 . . . . 70.32 113.409 -175.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -88.98 -30.3 18.87 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.948 0.899 . . . . 74.12 112.217 -177.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -134.85 149.83 50.39 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.694 0.797 . . . . 72.12 110.524 -177.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.8 t -134.98 121.33 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.964 0.906 . . . . 70.52 109.797 175.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 20.3 m -81.84 103.87 11.81 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 109.229 -0.656 . . . . 71.04 109.229 173.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.402 ' HB ' HG22 ' A' ' 33' ' ' THR . 52.7 mt -90.49 106.72 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 124.372 1.069 . . . . 74.14 110.328 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 m -107.19 125.61 51.33 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.243 -0.651 . . . . 63.31 109.243 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.492 ' HA ' ' HB3' ' A' ' 70' ' ' ASP . 81.4 m-85 -71.8 148.01 46.68 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.69 0.626 . . . . 74.15 112.69 -170.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.82 154.79 43.77 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.049 0.939 . . . . 73.54 110.903 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.63 70.08 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.289 0.636 . . . . 73.33 111.756 174.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -100.09 173.94 6.4 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.018 0.927 . . . . 74.4 110.078 173.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -79.63 73.85 6.32 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.426 0.631 . . . . 72.24 111.03 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.7 m -112.67 -14.51 13.14 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.198 0.999 . . . . 63.34 110.733 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.492 ' HB3' ' HA ' ' A' ' 64' ' ' PHE . 1.4 p-10 -95.45 -27.29 15.48 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.805 1.242 . . . . 62.43 111.946 -178.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -69.93 114.13 7.82 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.411 0.684 . . . . 75.34 110.837 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.448 ' HB ' HG13 ' A' ' 7' ' ' ILE . 72.3 t -94.58 121.85 45.53 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 124.783 1.233 . . . . 75.45 111.517 -170.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.97 110.88 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.295 0.638 . . . . 75.23 110.608 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.5 mp -91.25 133.46 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 109.449 -0.574 . . . . 73.52 109.449 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -108.67 133.19 53.1 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.036 0.934 . . . . 74.55 110.297 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.46 HD23 HD11 ' A' ' 39' ' ' ILE . 94.1 mt -128.3 161.94 28.22 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.809 0.844 . . . . 72.13 111.997 -173.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.592 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 48.8 mmtt -120.18 161.05 21.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.686 0.794 . . . . 71.25 110.123 170.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -97.29 138.54 34.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.478 0.711 . . . . 73.32 111.18 175.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 42.15 -106.06 0.07 OUTLIER Glycine 0 CA--C 1.541 1.671 0 N-CA-C 116.61 1.404 . . . . 75.12 116.61 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mp -111.36 40.22 2.13 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.46 1.104 . . . . 74.03 111.805 -171.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 77' ' ' LYS . 39.4 mt-10 -81.86 66.97 7.66 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.654 0.74 . . . . 73.05 111.778 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -145.49 3.66 1.0 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.62 1.568 . . . . 75.2 109.75 171.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -146.16 128.03 15.4 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.287 0.635 . . . . 70.14 110.336 -172.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -77.47 171.48 14.82 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.734 0.814 . . . . 75.01 111.988 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -99.18 -37.11 9.44 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.227 0.611 . . . . 73.15 111.238 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -88.9 135.63 33.43 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.361 0.664 . . . . 74.34 110.634 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 . . . . . 0 N--CA 1.484 1.269 0 C-N-CA 124.188 0.995 . . . . 74.41 111.189 -177.669 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtm . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 112.266 0.469 . . . . 74.32 112.266 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -111.55 142.23 44.11 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.101 0.56 . . . . 74.33 111.225 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -110.99 143.2 42.04 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.606 0.762 . . . . 72.24 111.423 -172.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -97.27 162.13 13.48 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.206 0.602 . . . . 64.33 110.502 173.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.98 125.17 41.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.933 0.893 . . . . 62.42 109.308 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.8 p -97.98 128.79 44.76 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.545 0.738 . . . . 74.51 111.49 -167.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.573 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 26.7 mt -120.32 132.11 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 124.014 0.925 . . . . 72.41 109.411 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.1 m -143.12 121.28 12.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.708 -0.62 . . . . 75.12 111.462 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.428 ' HH ' ' HA ' ' A' ' 37' ' ' VAL . 28.9 m-85 -79.93 129.36 34.43 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.778 0.831 . . . . 74.43 109.585 172.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 26.8 m -120.22 141.69 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 112.82 0.674 . . . . 74.01 112.82 -174.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -90.7 94.25 9.6 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.366 1.066 . . . . 73.32 109.316 175.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.19 -14.92 62.66 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.604 0.965 . . . . 71.13 113.604 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.47 -13.55 58.05 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.302 0.641 . . . . 75.42 110.844 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -118.36 22.66 12.0 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.992 0.917 . . . . 65.42 110.314 -177.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.84 40.43 64.09 Favored Glycine 0 C--N 1.35 1.346 0 CA-C-N 115.936 -0.574 . . . . 62.25 114.101 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.92 48.69 39.44 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 113.724 0.25 . . . . 63.24 113.724 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -74.7 167.73 21.22 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.096 0.558 . . . . 73.51 112.099 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.467 HE21 ' HA ' ' A' ' 21' ' ' ASP . 53.5 tt0 -83.38 120.38 25.81 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.907 -0.496 . . . . 75.33 111.22 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.1 t -101.52 107.95 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.715 0.806 . . . . 74.42 109.082 173.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.86 -121.04 5.3 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 120.103 -0.276 . . . . 71.23 112.812 -176.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.467 ' HA ' HE21 ' A' ' 18' ' ' GLN . 26.4 t0 -147.54 162.19 39.59 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.458 0.703 . . . . 71.15 111.299 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.34 132.04 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.761 0.825 . . . . 55.15 110.768 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 58.7 t -106.07 112.77 40.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 124.457 1.103 . . . . 73.34 110.084 -177.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.5 p -104.97 130.92 53.06 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.812 0.445 . . . . 72.2 111.198 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.7 m -112.8 138.77 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.683 0.793 . . . . 72.41 109.387 172.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.2 m -106.23 141.65 37.23 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 123.184 0.594 . . . . 72.01 111.999 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.22 -134.1 1.81 Allowed Glycine 0 CA--C 1.533 1.182 0 N-CA-C 111.526 -0.63 . . . . 45.34 111.526 176.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -143.62 156.1 44.46 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 117.644 0.722 . . . . 72.44 110.071 177.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 77.8 p -50.17 -30.03 10.52 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 114.633 1.345 . . . . 75.22 114.633 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.39 -20.02 48.67 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 124.122 0.969 . . . . 73.34 112.361 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -102.84 157.6 16.85 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.519 0.728 . . . . 75.21 112.352 -172.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 m -125.36 154.52 41.72 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.175 0.99 . . . . 72.11 110.644 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 t -138.83 162.23 35.29 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 123.848 0.859 . . . . 71.44 110.557 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -116.09 144.14 44.53 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 121.308 0.575 . . . . 73.3 111.455 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -143.21 139.09 30.12 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.108 0.963 . . . . 72.31 110.269 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.7 m -100.12 138.88 36.59 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.162 0.585 . . . . 73.41 110.92 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.428 ' HA ' ' HH ' ' A' ' 9' ' ' TYR . 95.8 t -76.18 131.13 35.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 124.392 1.077 . . . . 72.24 110.63 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.7 p -107.49 112.19 24.84 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.118 0.967 . . . . 72.12 109.942 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.1 mm -90.07 113.27 56.57 Favored Pre-proline 0 N--CA 1.49 1.552 0 C-N-CA 123.422 0.689 . . . . 73.12 111.063 -175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -69.76 171.21 14.88 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.52 2.813 . . . . 64.35 114.679 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.72 120.82 10.81 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.171 0.988 . . . . 70.21 112.381 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.76 6.58 89.3 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 116.191 -0.459 . . . . 73.14 114.094 177.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -104.29 150.16 24.69 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 117.549 0.675 . . . . 73.44 111.284 176.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -122.36 140.48 52.63 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.497 1.119 . . . . 75.43 109.884 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -67.68 122.01 17.16 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.519 0.728 . . . . 71.14 111.578 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.0 t -92.5 -52.97 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.932 0.493 . . . . 75.12 109.937 173.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.47 156.01 9.62 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.088 -0.506 . . . . 63.04 113.66 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.439 ' HB ' ' HB ' ' A' ' 53' ' ' VAL . 45.5 m -92.65 131.77 37.46 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.223 0.609 . . . . 73.21 111.306 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 20.9 t0 -109.91 152.49 25.75 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.602 1.161 . . . . 74.31 109.004 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.72 -73.66 2.61 Favored Glycine 0 N--CA 1.477 1.371 0 N-CA-C 113.739 0.256 . . . . 75.15 113.739 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.91 178.65 48.41 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 116.661 0.23 . . . . 74.34 113.579 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.431 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 46.3 t -88.1 112.5 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 122.972 0.509 . . . . 75.34 110.087 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.439 ' HB ' ' HB ' ' A' ' 48' ' ' THR . 7.5 p -95.51 140.84 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 122.784 0.434 . . . . 71.43 111.57 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -80.18 174.12 11.92 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.191 0.597 . . . . 73.02 111.971 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 t -61.65 -39.3 90.87 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 113.273 0.842 . . . . 74.54 113.273 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.82 -9.77 58.54 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 122.965 0.506 . . . . 64.24 112.178 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.37 -36.46 3.57 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 115.256 0.862 . . . . 74.03 115.256 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.26 -43.08 87.46 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.058 0.762 . . . . 75.12 113.058 -172.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.6 p -94.94 128.36 41.67 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 122.034 -0.416 . . . . 70.2 110.976 -176.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.5 t -126.91 125.46 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.736 0.814 . . . . 73.02 111.075 -175.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 48.0 m -82.7 107.02 15.03 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.49 0.716 . . . . 73.0 110.013 171.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.8 mt -103.71 116.83 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.134 0.974 . . . . 73.41 109.808 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 56.3 m -110.3 120.3 41.99 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.97 0.508 . . . . 74.33 109.698 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 29' ' ' THR . 23.9 m-85 -55.26 125.17 19.57 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.289 0.636 . . . . 74.05 109.934 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.25 152.43 46.12 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.872 0.693 . . . . 64.55 112.872 -171.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.03 -30.95 61.21 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 115.504 -0.771 . . . . 74.35 110.282 168.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.48 107.48 14.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.826 0.85 . . . . 71.11 110.702 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 61.18 18.96 9.61 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.98 1.312 . . . . 65.35 113.024 170.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m 60.12 11.89 2.96 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.766 1.226 . . . . 62.22 113.274 -175.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t70 59.49 67.48 0.89 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.455 1.102 . . . . 71.22 110.038 -167.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -70.25 105.55 3.01 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.221 -0.9 . . . . 73.53 111.491 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.9 t -94.97 117.94 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 124.107 0.963 . . . . 75.42 109.672 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.478 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 61.8 t -114.34 110.19 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.324 0.65 . . . . 74.24 110.07 -176.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.406 HG23 HG11 ' A' ' 37' ' ' VAL . 30.5 mm -85.28 110.66 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.252 -0.647 . . . . 70.11 109.252 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -84.58 128.39 34.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.83 0.452 . . . . 75.14 110.363 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.409 HD11 ' HD2' ' A' ' 9' ' ' TYR . 83.3 mt -131.19 138.76 49.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.672 0.789 . . . . 72.35 110.951 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -110.02 172.56 6.79 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.917 0.887 . . . . 74.41 109.726 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -94.38 128.35 40.85 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.945 -0.472 . . . . 65.42 110.693 172.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.95 -67.82 1.51 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.34 -1.504 . . . . 72.44 109.34 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.8 117.26 14.29 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 108.055 -1.091 . . . . 74.24 108.055 163.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.36 -32.55 74.21 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 123.463 0.705 . . . . 64.11 112.874 -174.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 53.2 t60 65.15 104.7 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.079 1.352 . . . . 74.52 111.758 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -70.45 97.7 1.32 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.146 0.578 . . . . 73.34 111.145 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -71.36 142.19 50.37 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.89 0.876 . . . . 71.42 110.221 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -70.86 107.37 3.98 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.556 0.342 . . . . 62.25 110.422 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 53.69 172.58 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 126.971 2.108 . . . . 74.44 115.152 -175.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 . . . . . 0 N--CA 1.483 1.181 0 C-N-CA 124.272 1.029 . . . . 75.04 110.031 -179.916 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptp . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.51 0.195 . . . . 75.14 111.116 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -77.96 127.37 32.24 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 122.748 0.419 . . . . 72.54 110.319 169.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -91.73 145.53 24.5 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.249 0.62 . . . . 72.1 110.678 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -114.16 169.08 9.28 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.559 0.744 . . . . 74.33 112.163 -176.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.81 124.97 8.69 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.465 1.106 . . . . 74.33 109.458 169.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.0 p -104.79 129.47 53.06 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.313 0.645 . . . . 73.34 112.097 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.524 HG13 ' HB ' ' A' ' 72' ' ' VAL . 3.9 mp -109.22 104.73 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.574 0.75 . . . . 74.31 109.332 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.5 m -103.48 121.0 41.93 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.457 0.703 . . . . 75.4 110.484 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.571 ' HH ' ' HA ' ' A' ' 37' ' ' VAL . 63.0 m-85 -84.23 134.75 34.53 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.005 0.522 . . . . 72.21 109.88 173.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.25 160.11 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 124.289 1.036 . . . . 72.43 110.313 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.88 125.26 43.69 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 121.44 0.638 . . . . 71.12 111.013 173.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -66.73 -25.69 66.64 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 124.872 1.269 . . . . 62.23 113.993 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -74.66 -7.06 52.06 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 112.558 0.577 . . . . 74.51 112.558 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 6.0 mmpt? -124.98 29.53 6.12 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.934 0.894 . . . . 73.31 110.331 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.59 28.67 70.65 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-N 115.865 -0.607 . . . . 72.33 113.864 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.88 43.02 15.22 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 123.434 0.137 . . . . 62.14 112.861 -172.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.57 132.3 37.1 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.599 0.36 . . . . 71.44 110.559 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.89 131.98 45.98 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.371 0.668 . . . . 74.52 112.484 -171.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -99.67 104.87 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 N-CA-C 107.903 -1.147 . . . . 72.31 107.903 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.43 -137.85 23.31 Favored Glycine 0 CA--C 1.541 1.685 0 CA-C-O 120.258 -0.19 . . . . 72.42 112.886 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -114.58 -179.23 3.57 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.491 0.716 . . . . 54.52 111.542 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.74 140.85 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.435 0.694 . . . . 75.23 109.204 173.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -108.12 100.72 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 122.901 0.48 . . . . 65.53 110.244 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.1 m -89.47 118.95 29.5 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 122.061 -0.399 . . . . 74.11 110.409 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -105.21 144.88 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 123.467 0.707 . . . . 70.21 109.315 171.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -132.87 156.65 46.81 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 113.011 0.745 . . . . 53.12 113.011 -167.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 157.12 -116.56 0.72 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 115.623 -0.717 . . . . 64.24 112.231 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -165.39 153.41 11.28 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.274 1.03 . . . . 75.43 109.112 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -54.85 -21.34 11.07 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 114.961 1.467 . . . . 72.13 114.961 -170.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.87 -26.68 67.75 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.589 1.156 . . . . 64.34 112.126 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -102.06 138.44 39.01 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.878 0.871 . . . . 71.41 110.627 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -121.37 142.09 50.33 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.462 0.705 . . . . 73.42 110.951 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -145.17 149.46 35.01 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.51 0.724 . . . . 73.13 110.862 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.2 p -102.6 112.69 25.55 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 109.691 -0.485 . . . . 72.43 109.691 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -82.05 132.63 35.25 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.422 0.689 . . . . 71.14 109.762 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 t -76.42 114.21 14.87 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-O 121.436 0.636 . . . . 64.14 111.474 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.571 ' HA ' ' HH ' ' A' ' 9' ' ' TYR . 75.6 t -78.87 121.51 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.194 0.597 . . . . 74.51 110.368 175.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.1 p -97.37 114.12 25.88 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.103 0.561 . . . . 70.42 110.521 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.48 112.03 50.69 Favored Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.658 0.783 . . . . 75.54 110.197 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.24 157.51 50.01 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.627 2.218 . . . . 71.32 112.77 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -67.39 126.41 29.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.224 0.61 . . . . 65.52 111.015 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.58 -12.37 61.33 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 115.956 -0.565 . . . . 74.1 113.242 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -108.99 141.35 41.22 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.438 0.695 . . . . 75.42 110.886 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -122.46 136.38 54.88 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.788 1.235 . . . . 74.1 110.076 -175.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.539 ' HH ' HG23 ' A' ' 53' ' ' VAL . 69.3 t80 -66.59 113.53 4.84 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 122.765 0.426 . . . . 75.22 111.572 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.2 t -87.97 -60.6 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.449 0.699 . . . . 73.44 110.597 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.72 -176.88 42.51 Favored Glycine 0 C--N 1.342 0.875 0 CA-C-N 115.105 -0.952 . . . . 75.05 112.558 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.5 m -150.42 139.7 21.29 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.143 0.577 . . . . 74.51 110.982 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -116.84 150.27 38.66 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.713 0.805 . . . . 72.11 110.504 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.66 -150.14 22.23 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-O 119.293 -0.726 . . . . 74.45 112.831 -172.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -28.7 155.34 0.0 OUTLIER Glycine 0 N--CA 1.493 2.469 0 N-CA-C 118.088 1.995 . . . . 65.33 118.088 171.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.7 t -77.23 120.96 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.757 0.823 . . . . 75.21 111.594 -161.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.539 HG23 ' HH ' ' A' ' 45' ' ' TYR . 10.1 p -97.55 155.62 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 CA-C-O 121.16 0.505 . . . . 74.44 112.053 -178.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -71.44 164.83 25.04 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.242 1.017 . . . . 75.11 112.67 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.7 p -61.49 -32.36 72.37 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.365 1.066 . . . . 64.24 111.944 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -96.37 -14.34 22.57 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.903 0.881 . . . . 63.44 111.398 177.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.71 35.77 62.17 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-N 116.236 -0.438 . . . . 73.45 112.574 -169.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.561 ' HZ3' ' HB3' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -87.3 -27.6 22.78 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.933 0.493 . . . . 74.44 111.828 179.582 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.5 p -142.75 158.53 43.55 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.071 0.948 . . . . 63.23 111.336 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.583 HG13 HG12 ' A' ' 72' ' ' VAL . 11.1 m -129.02 125.25 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.412 1.085 . . . . 75.13 110.212 170.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.9 m -82.52 128.94 34.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.878 0.871 . . . . 75.32 109.66 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 49.7 mm -124.01 136.12 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 C-N-CA 124.371 1.068 . . . . 72.44 111.438 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 p -125.07 114.65 19.35 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.479 -1.304 . . . . 55.13 107.479 164.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -67.62 113.07 5.12 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.813 0.845 . . . . 75.04 110.355 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.52 146.53 32.44 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.279 0.844 . . . . 61.42 113.279 -169.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.93 1.73 16.8 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 114.848 -1.069 . . . . 62.13 111.732 168.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.96 -29.72 62.14 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.773 1.229 . . . . 75.13 111.097 171.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 70.7 9.34 6.83 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.342 1.608 . . . . 63.03 115.342 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.2 m -65.43 -65.78 0.63 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 118.798 0.727 . . . . 62.11 111.0 172.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -34.12 -7.65 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 118.296 2.702 . . . . 73.31 118.296 164.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -69.78 99.86 1.42 Allowed 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 119.677 1.126 . . . . 70.24 108.919 163.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.583 HG12 HG13 ' A' ' 60' ' ' VAL . 52.3 t -84.93 143.84 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.15 0.98 . . . . 73.23 111.628 -174.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.3 t -127.11 118.84 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 123.289 0.636 . . . . 72.52 109.584 167.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.1 mm -90.24 119.62 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.078 0.951 . . . . 75.14 109.852 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -92.44 131.91 37.21 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.714 0.806 . . . . 75.32 110.309 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.14 145.19 51.87 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.86 0.864 . . . . 74.11 110.801 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -124.56 150.91 45.39 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.75 -0.594 . . . . 73.43 110.822 173.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -74.92 137.8 41.94 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 122.705 0.402 . . . . 63.53 110.886 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.27 42.53 1.92 Allowed Glycine 0 N--CA 1.473 1.163 0 N-CA-C 111.317 -0.713 . . . . 73.41 111.317 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 mt -99.75 88.01 3.7 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.848 0.859 . . . . 73.52 109.687 -173.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -75.89 105.04 6.71 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.904 -0.589 . . . . 72.43 110.785 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -117.83 136.7 53.25 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.555 0.742 . . . . 73.14 111.115 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -65.81 150.4 48.61 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.869 0.468 . . . . 72.42 111.076 173.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -91.11 39.92 1.01 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.666 0.746 . . . . 73.21 111.577 -173.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -72.58 -11.88 60.83 Favored 'General case' 0 CA--C 1.565 1.557 0 C-N-CA 124.076 0.95 . . . . 73.13 111.018 175.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -124.07 152.1 43.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.795 1.238 . . . . 73.41 110.08 167.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.6 t60 . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 123.546 0.738 . . . . 75.02 111.008 178.563 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 CA--C 1.549 0.94 0 CA-C-O 120.656 0.265 . . . . 62.41 110.512 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -114.13 144.84 42.5 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.579 0.752 . . . . 64.33 110.455 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -107.66 169.25 8.71 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.972 0.891 . . . . 74.34 113.354 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.09 118.82 7.53 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 113.95 -1.477 . . . . 34.02 108.15 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -105.73 123.71 48.38 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.076 0.465 . . . . 64.33 110.152 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.557 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 11.7 mt -103.5 97.83 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.689 -0.856 . . . . 72.24 108.689 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.8 m -106.23 111.29 23.83 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 110.114 -0.328 . . . . 51.12 110.114 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -73.48 124.7 26.34 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.926 -0.768 . . . . 71.13 108.926 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 m -126.92 150.86 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.861 0.864 . . . . 72.42 110.419 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -92.88 96.82 10.36 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.479 -0.563 . . . . 63.23 109.479 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.499 ' HB2' ' HB3' ' A' ' 75' ' ' HIS . 15.1 t70 -61.62 -19.33 62.14 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.89 1.276 . . . . 65.23 112.582 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' A' ' 77' ' ' LYS . 14.3 t70 -80.9 -26.69 36.64 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.598 0.759 . . . . 63.43 111.05 175.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.44 41.37 2.33 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.659 0.784 . . . . 75.04 110.689 -173.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.84 28.92 70.96 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 115.258 0.863 . . . . 65.35 115.258 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.05 23.66 56.79 Favored Glycine 0 CA--C 1.54 1.642 0 N-CA-C 114.791 0.676 . . . . 71.42 114.791 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.88 132.08 43.06 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 117.632 0.716 . . . . 72.33 111.13 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -61.03 131.24 49.99 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.862 1.06 . . . . 72.25 113.862 -166.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.64 111.42 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.247 1.019 . . . . 70.11 108.46 172.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.76 -113.28 3.76 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 120.174 -0.237 . . . . 31.24 113.278 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -150.49 171.8 16.48 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.361 0.601 . . . . 64.52 112.223 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.3 mt -81.29 132.62 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.74 0.816 . . . . 75.22 110.481 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 21.8 t -93.64 100.81 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 N-CA-C 108.814 -0.809 . . . . 64.13 108.814 174.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.6 m -86.83 106.06 17.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.834 0.454 . . . . 65.4 110.019 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.1 m -115.98 139.15 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 122.759 0.424 . . . . 62.02 109.868 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.0 p -130.03 156.36 44.62 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.351 0.66 . . . . 73.14 110.829 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.82 -140.21 4.6 Favored Glycine 0 N--CA 1.468 0.768 0 CA-C-N 115.722 -0.672 . . . . 73.4 111.823 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -124.4 155.74 38.31 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.339 0.569 . . . . 64.34 110.164 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.8 m -53.65 -30.57 43.76 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.44 0.696 . . . . 70.13 112.699 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.86 -30.5 71.56 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.427 0.691 . . . . 64.33 112.295 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -92.36 135.6 33.89 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.78 0.832 . . . . 73.44 111.89 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -119.8 138.03 53.61 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.537 0.735 . . . . 65.32 109.859 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -109.42 152.86 24.81 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.777 0.831 . . . . 71.22 111.623 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.553 HG22 HG22 ' A' ' 61' ' ' THR . 61.1 p -113.16 115.89 28.97 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.735 0.814 . . . . 52.34 109.681 173.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -115.7 125.47 52.86 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.585 0.754 . . . . 73.52 111.11 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.5 m -84.2 128.8 34.79 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.827 0.451 . . . . 72.13 110.046 173.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.3 t -74.54 131.51 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 124.135 0.974 . . . . 73.31 110.15 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.1 p -105.71 114.19 28.2 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.097 0.959 . . . . 74.05 109.67 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.0 mm -93.49 107.85 29.52 Favored Pre-proline 0 CA--C 1.557 1.224 0 C-N-CA 123.475 0.71 . . . . 63.54 110.935 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -83.74 169.83 11.76 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.894 2.396 . . . . 74.43 113.849 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.27 109.11 1.04 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 114.052 1.13 . . . . 73.43 114.052 -172.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.37 10.46 58.19 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 115.771 -0.649 . . . . 61.35 114.456 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 37.0 m-85 -119.81 140.44 50.77 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 117.542 0.671 . . . . 73.55 110.563 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -118.27 129.58 55.55 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.351 1.06 . . . . 72.41 110.824 -171.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -63.7 115.47 4.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 118.174 0.443 . . . . 72.4 111.914 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.6 t -94.14 -55.13 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.556 0.743 . . . . 62.24 110.114 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.26 172.9 44.97 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-N 115.701 -0.681 . . . . 70.35 113.708 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 76.6 m -136.02 139.93 43.49 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.032 0.933 . . . . 54.31 110.175 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -130.94 153.84 48.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.57 0.748 . . . . 62.44 110.857 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.54 -139.68 14.69 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-O 118.19 -1.339 . . . . 75.33 110.098 -166.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 3.2 116.31 0.0 OUTLIER Glycine 0 N--CA 1.494 2.512 0 N-CA-C 116.48 1.352 . . . . 70.14 116.48 153.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.18 106.08 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.352 0.661 . . . . 75.4 110.666 -168.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 60' ' ' VAL . 12.5 p -77.65 139.84 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 122.818 0.447 . . . . 62.02 111.349 -173.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -71.67 164.87 25.14 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.366 0.666 . . . . 71.24 111.744 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.9 m -64.31 -27.82 69.29 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.356 0.662 . . . . 75.21 112.511 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -82.39 -18.65 41.25 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.181 0.592 . . . . 75.23 112.327 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.4 -20.36 5.08 Favored Glycine 0 CA--C 1.544 1.85 0 N-CA-C 115.268 0.867 . . . . 74.55 115.268 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 58' ' ' LYS . 9.0 mtmp? -79.06 -16.59 56.59 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.932 0.893 . . . . 74.21 112.067 -175.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.5 p -126.69 152.66 46.47 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.553 0.741 . . . . 72.24 110.671 173.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.438 HG22 HG23 ' A' ' 53' ' ' VAL . 94.1 t -138.41 118.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 124.421 1.088 . . . . 52.32 109.988 -175.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.553 HG22 HG22 ' A' ' 34' ' ' THR . 69.4 p -83.11 103.36 12.48 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 121.727 0.775 . . . . 64.42 110.211 173.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.8 mt -93.15 150.4 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.13 1.372 . . . . 74.24 110.144 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.5 m -140.98 133.22 28.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.828 -0.545 . . . . 61.2 110.516 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -72.61 136.94 45.84 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.987 0.915 . . . . 71.51 111.449 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.93 131.13 38.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.909 0.484 . . . . 75.44 111.409 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.5 -21.45 48.9 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.085 0.554 . . . . 54.42 111.239 171.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.98 -62.09 1.81 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.941 0.896 . . . . 75.55 110.845 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.81 -44.95 19.64 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.159 0.983 . . . . 74.43 112.43 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m 56.42 96.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.674 -1.232 . . . . 50.23 107.674 -156.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -67.81 82.39 0.19 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.772 0.796 . . . . 72.43 111.564 -155.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -69.26 97.07 0.9 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.584 -1.189 . . . . 65.45 110.143 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.9 t -87.7 116.4 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 N-CA-C 108.845 -0.798 . . . . 71.11 108.845 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.8 t -110.04 110.65 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.274 0.629 . . . . 43.25 110.123 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -100.99 108.59 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 123.221 0.608 . . . . 70.13 109.783 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 43.4 m-70 -83.45 132.85 34.94 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.351 1.06 . . . . 73.3 110.591 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.7 mt -132.22 137.32 47.52 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 123.366 0.667 . . . . 73.42 111.289 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.491 ' HA ' ' HB2' ' A' ' 13' ' ' ASP . 67.8 mttm -107.69 170.99 7.64 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.4 -0.813 . . . . 73.4 111.35 174.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -89.14 128.75 35.8 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 122.15 -0.344 . . . . 73.55 111.015 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.62 -123.93 3.71 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 116.411 -0.359 . . . . 65.11 112.304 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 N--CA 1.481 1.12 0 C-N-CA 123.053 0.541 . . . . 72.44 109.808 177.549 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.428 0.632 . . . . 50.32 111.31 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 64' ' ' PHE . 12.3 tp10 -112.02 146.46 37.87 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.911 0.884 . . . . 75.24 111.214 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -109.57 124.75 51.65 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.944 0.898 . . . . 71.34 109.797 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.75 138.16 44.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.51 1.124 . . . . 44.31 110.323 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.493 ' HA ' HG22 ' A' ' 24' ' ' THR . 67.2 p -96.96 138.9 33.79 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.489 0.716 . . . . 73.33 112.202 -169.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.1 mt -128.69 110.71 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 124.935 1.294 . . . . 71.43 108.802 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -117.86 109.44 16.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.794 0.437 . . . . 65.3 111.049 -174.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -73.13 133.14 44.01 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 108.73 -0.841 . . . . 61.33 108.73 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 m -133.52 166.14 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.021 0.928 . . . . 72.43 110.289 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -126.95 115.48 19.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.396 0.678 . . . . 73.12 109.547 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -67.1 -26.24 66.61 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.46 1.104 . . . . 54.52 113.069 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -76.69 -8.57 57.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.948 -0.47 . . . . 60.23 111.171 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.8 mmpt? -105.62 18.68 21.8 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.144 0.978 . . . . 51.32 110.214 168.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.25 30.69 69.26 Favored Glycine 0 C--N 1.355 1.588 0 C-N-CA 123.183 0.421 . . . . 60.34 114.149 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.71 31.02 51.22 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 122.891 0.281 . . . . 63.12 113.394 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.35 140.04 31.86 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.476 0.71 . . . . 63.31 110.902 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -68.93 140.88 55.1 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.214 0.82 . . . . 74.22 113.214 -169.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.14 109.67 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.3 1.04 . . . . 73.04 108.845 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.48 -156.92 45.43 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.265 0.353 . . . . 42.42 113.153 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -94.13 154.9 17.35 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.124 0.569 . . . . 74.04 110.369 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.18 130.2 34.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 C-N-CA 123.198 0.599 . . . . 64.53 110.354 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.7 t -93.55 140.51 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.096 -1.075 . . . . 64.14 108.096 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.493 HG22 ' HA ' ' A' ' 6' ' ' THR . 56.6 p -131.91 145.81 51.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.67 -0.644 . . . . 55.14 112.031 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 m -116.33 138.44 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.466 1.106 . . . . 75.23 109.962 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.8 m -113.72 140.24 48.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.868 -0.52 . . . . 70.24 111.7 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.1 174.87 42.08 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.746 0.689 . . . . 65.22 111.571 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -81.24 154.15 26.77 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.141 -0.689 . . . . 73.12 109.141 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.6 p -55.13 -28.24 51.22 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 113.782 1.03 . . . . 33.11 113.782 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.76 -13.48 61.33 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.992 0.917 . . . . 70.3 112.874 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -101.94 151.93 21.53 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.505 0.722 . . . . 72.21 111.886 -177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -125.68 139.18 53.77 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.276 1.03 . . . . 62.44 108.672 167.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.0 t -115.97 160.69 19.91 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.624 0.769 . . . . 74.44 110.808 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.8 m -114.62 125.43 53.75 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.154 0.582 . . . . 63.33 109.639 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -112.53 131.56 55.54 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.129 0.972 . . . . 64.44 110.396 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.9 m -84.39 117.34 23.56 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.842 0.457 . . . . 65.12 110.659 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.28 116.11 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 124.471 1.108 . . . . 62.21 110.128 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.7 p -102.37 119.55 39.0 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.611 0.765 . . . . 75.15 110.677 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.7 mm -90.34 119.36 69.18 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.446 0.698 . . . . 72.31 110.794 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.08 143.24 25.55 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 123.045 2.497 . . . . 62.23 112.533 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.15 120.49 12.2 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.453 0.701 . . . . 72.34 110.767 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.36 -25.52 17.62 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 123.544 0.592 . . . . 51.43 112.63 -172.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -104.84 126.84 52.32 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.143 0.977 . . . . 73.34 110.08 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HB2' ' HG2' ' A' ' 77' ' ' LYS . 11.5 mm-40 -100.3 130.25 46.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.061 0.944 . . . . 71.54 109.894 -175.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -65.02 115.25 5.22 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.328 0.651 . . . . 73.22 111.264 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.5 t -93.46 -42.52 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.415 0.686 . . . . 73.41 110.099 177.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.74 -174.27 43.98 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.005 -0.543 . . . . 70.14 113.747 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.4 m -132.36 139.28 48.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.292 1.037 . . . . 63.42 109.826 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.63 152.41 45.21 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.435 1.094 . . . . 71.01 110.636 -174.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.41 -72.46 1.52 Allowed Glycine 0 N--CA 1.479 1.521 0 C-N-CA 122.76 0.219 . . . . 54.44 112.747 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.01 172.81 48.16 Favored Glycine 0 N--CA 1.478 1.495 0 CA-C-N 116.548 0.174 . . . . 70.22 113.069 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' HB ' HG22 ' A' ' 61' ' ' THR . 31.7 t -86.57 107.8 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 109.774 -0.454 . . . . 63.34 109.774 -176.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.4 p -84.2 147.99 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 122.926 0.49 . . . . 75.52 111.315 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.9 t -69.54 160.81 30.79 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.547 0.739 . . . . 72.21 111.08 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 t -62.17 -31.27 71.75 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.731 0.812 . . . . 72.41 113.078 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -89.61 -10.81 44.6 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.358 0.663 . . . . 75.21 112.386 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.33 12.25 84.75 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 114.703 0.641 . . . . 75.33 114.703 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 58' ' ' LYS . 5.2 ttpm? -78.8 -36.02 43.38 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.627 0.771 . . . . 71.15 112.2 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.9 p -131.86 165.69 23.27 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.424 0.69 . . . . 64.44 111.604 -175.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.57 131.22 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.187 0.995 . . . . 75.33 110.387 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.41 HG22 ' HB ' ' A' ' 52' ' ' VAL . 11.0 t -88.94 123.59 33.43 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.681 0.753 . . . . 61.12 110.714 175.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.606 HG12 HG21 ' A' ' 72' ' ' VAL . 18.1 mt -116.1 119.3 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.688 1.195 . . . . 72.01 109.7 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.9 m -107.66 129.8 54.98 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.553 -0.536 . . . . 61.0 109.553 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.448 ' HB3' ' HB3' ' A' ' 3' ' ' GLU . 38.3 m-85 -74.27 138.72 43.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.8 0.84 . . . . 62.31 110.982 -170.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.2 153.24 32.33 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 112.411 0.523 . . . . 71.22 112.411 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.55 22.09 0.6 Allowed 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.196 0.999 . . . . 21.34 111.432 171.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -132.3 158.61 41.42 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.039 1.336 . . . . 75.12 109.748 -174.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.0 -8.69 17.03 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.684 0.994 . . . . 73.0 113.684 -178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.5 p -65.33 -10.63 34.53 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 113.751 1.019 . . . . 41.12 113.751 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.65 -31.2 72.32 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.838 0.855 . . . . 64.42 112.633 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -60.99 133.98 56.64 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.09 0.956 . . . . 64.31 113.348 -172.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.606 HG21 HG12 ' A' ' 62' ' ' ILE . 88.9 t -124.64 117.15 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 N-CA-C 108.796 -0.816 . . . . 74.44 108.796 171.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.47 112.07 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.364 0.665 . . . . 70.42 109.912 -177.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.0 mm -85.81 117.59 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 109.384 -0.599 . . . . 55.13 109.384 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -94.97 119.98 34.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.24 0.616 . . . . 73.12 110.783 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.4 mt -121.33 169.07 10.96 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.664 1.186 . . . . 74.11 109.355 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.431 ' HG2' ' HB2' ' A' ' 44' ' ' GLU . 13.0 ptmm? -143.52 171.4 14.21 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.648 -0.501 . . . . 72.11 109.648 175.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -90.89 146.79 23.62 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.659 -0.65 . . . . 74.15 111.318 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.82 -148.08 16.15 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.763 -0.653 . . . . 71.12 112.458 171.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 122.711 0.404 . . . . 64.41 110.396 175.343 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.335 -0.617 . . . . 73.33 109.335 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.549 ' HG2' ' HB ' ' A' ' 29' ' ' THR . 13.3 mp0 -100.53 140.29 35.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.267 0.627 . . . . 73.53 111.25 -167.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.29 162.6 23.41 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.348 0.594 . . . . 73.11 111.052 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.59 133.6 38.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.866 0.866 . . . . 50.41 109.655 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.7 p -100.03 126.13 46.18 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.321 0.648 . . . . 74.43 110.781 -173.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.57 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 26.4 mt -106.82 101.42 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.923 0.889 . . . . 63.34 109.681 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.3 m -110.24 111.49 22.84 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.336 0.655 . . . . 73.31 110.179 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -73.16 130.15 39.62 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.448 -0.575 . . . . 63.52 109.448 169.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.06 149.24 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.017 0.927 . . . . 63.22 109.694 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -91.07 105.34 17.75 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.524 -0.547 . . . . 70.3 109.524 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.25 -27.19 67.03 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.188 1.395 . . . . 62.12 111.853 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.34 -15.81 62.41 Favored 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 123.315 0.646 . . . . 74.42 111.662 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 17.31 15.72 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.721 0.808 . . . . 61.41 110.846 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.5 18.52 67.87 Favored Glycine 0 CA--C 1.543 1.801 0 N-CA-C 115.501 0.96 . . . . 41.35 115.501 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.43 51.07 0.47 Allowed Glycine 0 N--CA 1.48 1.632 0 CA-C-N 117.516 0.658 . . . . 34.3 114.247 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.33 122.59 37.04 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.048 0.539 . . . . 65.32 110.801 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.43 121.53 12.31 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.028 0.531 . . . . 71.42 112.327 -172.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -95.33 106.01 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 124.118 0.967 . . . . 73.52 109.186 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.51 -104.76 2.0 Allowed Glycine 0 CA--C 1.538 1.5 0 CA-C-O 119.889 -0.395 . . . . 74.4 112.275 -173.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -162.53 -177.88 5.89 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.253 0.621 . . . . 73.11 111.635 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.2 mt -80.99 140.74 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 123.957 0.903 . . . . 64.14 111.831 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 36.0 t -106.4 100.29 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.698 0.799 . . . . 65.21 108.928 172.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -86.11 114.98 23.4 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 121.974 -0.454 . . . . 73.05 109.886 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -104.44 139.51 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.702 0.401 . . . . 60.41 110.095 172.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.8 p -111.62 145.55 38.99 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.915 0.486 . . . . 72.32 111.053 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.78 -141.21 3.14 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 115.272 -0.876 . . . . 63.42 111.572 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -136.06 140.33 43.72 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 117.146 0.473 . . . . 73.3 110.026 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.549 ' HB ' ' HG2' ' A' ' 3' ' ' GLU . 8.9 t -57.96 -20.31 37.02 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 114.358 1.244 . . . . 61.41 114.358 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.57 -38.58 84.3 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.814 0.846 . . . . 64.04 111.576 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -110.31 165.07 12.07 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 122.004 0.907 . . . . 75.12 112.895 -171.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 63' ' ' THR . 88.1 p -114.36 170.23 8.45 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.123 -1.399 . . . . 72.45 110.67 173.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.5 t -137.39 160.82 37.99 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.615 0.766 . . . . 55.01 110.571 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 p -109.3 128.48 55.12 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.454 0.701 . . . . 74.41 109.887 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -121.89 122.53 39.61 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.404 0.682 . . . . 70.25 109.982 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -76.47 122.73 24.96 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.85 -0.426 . . . . 73.14 109.85 174.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.6 t -74.36 125.26 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 N-CA-C 108.966 -0.754 . . . . 74.44 108.966 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 p -105.94 113.59 27.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.459 0.704 . . . . 72.42 109.578 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mm -92.64 109.21 37.2 Favored Pre-proline 0 N--CA 1.484 1.265 0 C-N-CA 122.932 0.493 . . . . 65.23 110.027 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HD2' HD13 ' A' ' 76' ' ' LEU . 48.1 Cg_endo -65.8 145.85 81.87 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 122.463 2.109 . . . . 51.35 112.1 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.8 113.8 1.63 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.342 1.057 . . . . 54.21 112.122 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.47 -6.86 28.3 Favored Glycine 0 N--CA 1.481 1.639 0 C-N-CA 122.967 0.318 . . . . 75.02 113.731 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -109.11 161.08 15.54 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.552 0.741 . . . . 72.5 111.392 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -127.98 144.09 51.1 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.2 1.0 . . . . 74.41 109.857 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -69.85 132.52 46.16 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 122.858 0.463 . . . . 73.22 111.863 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.1 t -108.69 -61.75 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.399 0.68 . . . . 75.2 111.44 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.61 165.24 37.66 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-O 120.054 -0.303 . . . . 64.11 113.446 -174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.7 m -121.79 138.7 54.27 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.38 0.672 . . . . 65.41 111.508 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.589 ' HB2' ' HB ' ' A' ' 73' ' ' VAL . 22.2 m-20 -110.55 154.32 23.88 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.711 1.204 . . . . 75.21 110.437 178.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.66 -70.06 3.24 Favored Glycine 0 N--CA 1.479 1.5 0 N-CA-C 113.784 0.273 . . . . 63.21 113.784 172.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.58 -179.33 52.91 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 122.611 0.148 . . . . 63.34 113.263 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.1 t -105.33 115.31 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.282 0.633 . . . . 74.55 109.731 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.3 p -83.86 147.62 5.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 CA-C-O 121.123 0.487 . . . . 71.14 111.176 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -72.59 163.3 28.27 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.577 0.751 . . . . 64.23 112.098 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.0 p -58.99 -35.66 73.61 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.599 1.159 . . . . 75.24 113.075 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.99 -13.13 51.58 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.239 0.615 . . . . 72.12 112.094 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.37 6.58 80.79 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 114.767 0.667 . . . . 54.35 114.767 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -80.88 -35.94 31.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.511 0.724 . . . . 72.34 111.398 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.8 p -126.06 162.09 26.11 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.814 0.846 . . . . 73.54 111.461 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.6 p -130.81 122.87 53.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 C-N-CA 124.55 1.14 . . . . 75.43 109.782 174.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.8 m -77.38 108.85 10.82 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.445 -0.576 . . . . 75.41 109.445 171.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.437 HG12 HG21 ' A' ' 72' ' ' VAL . 21.4 mt -104.71 110.3 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.699 0.8 . . . . 74.32 110.076 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 12.4 m -91.76 148.43 22.25 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 108.905 -0.776 . . . . 74.42 108.905 175.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -88.39 141.64 28.38 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.895 -0.503 . . . . 75.34 111.164 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.03 153.19 42.71 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.916 0.886 . . . . 71.33 110.223 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.4 -18.81 65.57 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.464 0.705 . . . . 12.33 112.035 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -116.12 -173.2 2.32 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 124.554 1.142 . . . . 70.21 111.575 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -90.63 13.39 16.11 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.095 1.146 . . . . 73.21 114.095 -170.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.8 t -62.54 -24.36 67.47 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 113.524 0.935 . . . . 74.44 113.524 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -116.84 10.09 14.07 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.584 0.754 . . . . 61.13 112.014 -173.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -70.16 116.48 10.58 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.096 0.558 . . . . 44.31 109.694 175.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 99.4 t -88.47 126.17 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.53 0.732 . . . . 51.14 111.686 -167.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.589 ' HB ' ' HB2' ' A' ' 49' ' ' ASP . 72.9 t -118.5 103.21 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 108.997 -0.742 . . . . 54.32 108.997 174.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.5 mt -89.14 125.86 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.462 0.705 . . . . 71.22 110.466 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -98.09 125.64 43.18 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.2 1.0 . . . . 74.44 109.994 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.479 HD13 ' HD2' ' A' ' 40' ' ' PRO . 57.5 mt -128.04 134.87 49.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.239 0.616 . . . . 74.55 109.807 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -102.63 172.68 6.71 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 109.965 -0.383 . . . . 72.13 109.965 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -87.94 142.43 27.8 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.938 -0.393 . . . . 50.22 109.938 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.77 116.63 8.47 Favored Glycine 0 C--N 1.349 1.279 0 N-CA-C 111.124 -0.791 . . . . 72.04 111.124 170.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.487 1.383 0 C-N-CA 123.389 0.675 . . . . 75.11 112.74 -163.849 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 CA--C 1.555 1.136 0 CA-C-O 121.245 0.545 . . . . 64.31 110.874 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -98.71 138.47 35.83 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.338 0.655 . . . . 74.41 110.19 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -113.17 148.83 34.62 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-O 121.417 0.627 . . . . 65.02 112.418 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.454 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -114.02 135.96 53.44 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.65 1.18 . . . . 64.21 110.083 176.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -111.53 126.72 55.28 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.526 0.73 . . . . 71.12 111.083 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.71 123.55 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.76 0.824 . . . . 71.5 109.938 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.2 m -121.28 115.47 23.05 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.08 0.552 . . . . 72.11 110.608 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -75.83 135.32 40.22 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.96 0.504 . . . . 73.43 109.966 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.19 150.2 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 123.392 0.677 . . . . 71.21 111.158 -177.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -105.63 111.83 24.67 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.314 0.646 . . . . 75.35 110.509 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.07 -24.92 68.13 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.815 1.246 . . . . 72.11 113.441 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -86.51 -3.75 59.06 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 112.367 0.506 . . . . 70.52 112.367 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -124.09 23.66 8.41 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.549 0.74 . . . . 63.22 110.48 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.61 35.01 79.91 Favored Glycine 0 C--N 1.351 1.369 0 CA-C-N 116.093 -0.503 . . . . 72.21 114.208 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.9 40.66 43.55 Favored Glycine 0 CA--C 1.541 1.677 0 N-CA-C 114.33 0.492 . . . . 74.22 114.33 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.59 145.64 30.53 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 117.44 0.62 . . . . 74.1 111.527 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -60.73 123.22 16.83 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 113.093 0.775 . . . . 64.31 113.093 -173.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.1 t -93.59 106.14 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 123.788 0.835 . . . . 64.55 109.249 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.8 -96.98 0.47 Allowed Glycine 0 CA--C 1.536 1.372 0 N-CA-C 114.726 0.65 . . . . 72.42 114.726 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.54 159.31 29.43 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 113.349 0.87 . . . . 72.4 113.349 -163.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.3 mt -106.75 123.4 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.012 0.925 . . . . 64.25 108.551 163.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.96 108.44 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.667 0.787 . . . . 65.13 110.509 -176.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 m -98.07 106.4 18.69 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.696 -0.483 . . . . 71.01 109.696 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -104.01 141.08 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.12 0.568 . . . . 45.31 110.116 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.4 m -121.99 135.07 54.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.863 -0.523 . . . . 64.12 111.893 -173.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.68 -110.54 0.41 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 111.079 -0.808 . . . . 64.31 111.079 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 82.5 tttt -155.73 151.59 27.52 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.221 0.608 . . . . 74.33 110.161 173.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.3 t -58.29 -24.29 59.06 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 113.342 0.867 . . . . 62.1 113.342 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.98 -36.74 64.56 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.921 0.888 . . . . 71.23 110.986 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -85.76 158.91 19.89 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.046 0.938 . . . . 72.11 112.189 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.1 p -133.46 159.53 40.08 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.879 0.871 . . . . 73.04 111.066 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -137.29 161.26 36.72 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.8 0.84 . . . . 72.23 110.983 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.1 p -119.21 110.61 17.22 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.787 0.835 . . . . 73.02 110.119 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -101.31 138.2 38.64 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.781 0.832 . . . . 72.1 110.913 -176.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.3 t -86.56 138.43 31.72 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 121.033 0.444 . . . . 62.14 111.567 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.502 HG13 HG21 ' A' ' 74' ' ' ILE . 89.1 t -76.48 127.31 37.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.353 0.661 . . . . 73.21 110.186 176.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.0 m -99.35 106.1 18.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.145 0.978 . . . . 74.42 109.488 -175.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.6 mm -90.33 113.68 58.34 Favored Pre-proline 0 CA--C 1.559 1.292 0 C-N-CA 123.434 0.694 . . . . 71.11 110.705 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.47 162.65 33.11 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.813 2.342 . . . . 63.02 112.695 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.59 119.33 14.59 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.761 0.824 . . . . 45.2 111.527 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.15 12.21 63.74 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 116.122 -0.49 . . . . 33.51 113.716 -176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -123.1 146.33 47.81 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.691 0.796 . . . . 63.32 110.847 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' HG2' ' HA3' ' A' ' 79' ' ' GLY . 49.1 mm-40 -119.07 149.33 41.86 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.909 0.884 . . . . 62.43 110.36 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -69.79 132.05 45.47 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.202 0.601 . . . . 74.43 111.746 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.9 t -107.09 -60.37 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.264 0.626 . . . . 73.25 111.386 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.25 -175.37 35.84 Favored Glycine 0 N--CA 1.483 1.821 0 N-CA-C 113.82 0.288 . . . . 55.11 113.82 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.4 m -148.75 138.35 21.96 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.911 0.885 . . . . 72.31 110.844 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -122.69 153.7 39.07 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.499 1.12 . . . . 74.42 111.089 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.51 -71.57 1.14 Allowed Glycine 0 N--CA 1.477 1.402 0 CA-C-N 116.636 -0.256 . . . . 32.52 113.268 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.2 -172.8 43.42 Favored Glycine 0 CA--C 1.535 1.313 0 N-CA-C 113.637 0.215 . . . . 40.21 113.637 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.09 150.49 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.252 0.621 . . . . 74.31 109.567 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.18 149.38 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.072 0.549 . . . . 74.23 111.547 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -72.02 159.72 33.72 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.837 0.855 . . . . 74.31 111.808 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.3 m -69.16 -24.09 64.03 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.347 0.659 . . . . 74.1 111.548 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -81.64 -19.85 40.87 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.441 0.696 . . . . 75.2 111.317 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.21 11.87 59.7 Favored Glycine 0 C--N 1.355 1.626 0 N-CA-C 115.018 0.767 . . . . 72.1 115.018 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -90.35 -17.16 27.8 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.614 0.766 . . . . 70.0 112.108 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 69.4 p -133.49 153.63 51.47 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.692 0.797 . . . . 73.32 110.332 172.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.8 m -130.69 122.67 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 C-N-CA 125.078 1.351 . . . . 64.4 109.501 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.0 m -86.09 105.93 16.86 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.321 0.581 . . . . 74.22 109.851 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.498 HG12 HG21 ' A' ' 72' ' ' VAL . 50.0 mt -107.89 110.46 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.43 1.092 . . . . 61.05 110.919 -171.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.1 m -90.66 129.25 36.79 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.782 -0.821 . . . . 73.2 108.782 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 56.1 m-85 -65.32 149.64 49.63 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.981 -0.377 . . . . 75.24 109.981 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.19 151.23 32.74 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.944 0.402 . . . . 33.51 112.055 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.88 -4.65 57.05 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 115.687 -0.688 . . . . 54.42 110.311 163.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -97.4 163.98 12.65 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 125.36 1.464 . . . . 71.52 110.644 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.62 -2.81 15.49 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 113.959 1.096 . . . . 75.31 113.959 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.2 m -71.38 1.81 5.77 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 113.096 0.776 . . . . 71.2 113.096 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.454 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 4.8 p-10 -76.61 -25.61 54.07 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.691 0.797 . . . . 75.14 111.284 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -70.97 101.42 2.18 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.746 0.819 . . . . 70.22 110.924 -174.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.498 HG21 HG12 ' A' ' 62' ' ' ILE . 97.9 t -101.33 117.46 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.594 -0.521 . . . . 62.45 109.594 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.65 107.16 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.396 0.678 . . . . 54.42 109.911 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.502 HG21 HG13 ' A' ' 37' ' ' VAL . 71.2 mt -92.53 117.26 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.12 0.568 . . . . 61.1 109.83 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -85.47 137.52 32.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.516 1.126 . . . . 74.42 111.567 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -139.35 141.89 37.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.042 1.337 . . . . 65.23 110.05 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -125.43 173.29 8.99 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.276 0.63 . . . . 73.4 110.034 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -82.65 122.68 28.44 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 122.754 0.422 . . . . 72.3 111.151 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.414 ' HA3' ' HG2' ' A' ' 44' ' ' GLU . . . -111.94 36.54 4.11 Favored Glycine 0 N--CA 1.473 1.121 0 N-CA-C 111.088 -0.805 . . . . 64.1 111.088 174.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 124.234 1.014 . . . . 73.24 111.23 -172.811 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 CA--C 1.551 0.983 0 N-CA-C 109.753 -0.462 . . . . 73.42 109.753 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -97.53 139.61 33.19 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 110.145 -0.316 . . . . 75.24 110.145 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -102.32 167.36 10.03 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.486 0.55 . . . . 72.33 112.486 -174.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -139.39 146.87 40.72 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.371 1.069 . . . . 74.44 110.388 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 m -108.69 136.64 47.94 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.839 0.856 . . . . 50.54 110.864 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.3 mp -118.63 133.45 65.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 108.385 -0.968 . . . . 61.32 108.385 170.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.4 m -144.45 112.65 6.43 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.996 0.518 . . . . 60.5 110.739 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.442 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 41.0 m-85 -74.67 146.78 42.06 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.123 0.569 . . . . 75.54 110.346 173.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -145.39 144.69 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 C-N-CA 124.565 1.146 . . . . 72.51 109.555 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -90.92 113.45 25.67 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.808 0.443 . . . . 73.31 110.637 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.33 -23.39 66.99 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.71 0.404 . . . . 62.42 110.755 168.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.596 ' HB2' ' HG3' ' A' ' 77' ' ' LYS . 25.8 t70 -62.13 -34.74 76.95 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.891 1.276 . . . . 75.15 111.68 171.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.88 28.6 7.81 Favored 'General case' 0 CA--C 1.566 1.569 0 C-N-CA 123.68 0.792 . . . . 72.34 110.918 -173.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.37 27.59 72.5 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 115.294 0.878 . . . . 51.11 115.294 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.82 27.5 45.99 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 114.02 0.368 . . . . 73.34 114.02 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 133.53 36.18 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.344 0.658 . . . . 21.41 111.922 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -61.71 133.09 55.14 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 113.533 0.938 . . . . 74.11 113.533 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 76' ' ' LEU . 46.7 t -87.47 105.53 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.835 0.854 . . . . 74.52 109.629 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.19 -134.31 33.92 Favored Glycine 0 CA--C 1.542 1.747 0 N-CA-C 114.462 0.545 . . . . 53.15 114.462 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -96.53 -172.84 2.6 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.798 0.839 . . . . 74.43 112.461 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.4 mt -104.31 136.9 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 124.34 1.056 . . . . 74.43 110.25 173.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.516 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 44.2 t -96.24 148.47 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.288 0.635 . . . . 73.13 109.818 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.7 m -136.51 133.63 36.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.931 -0.481 . . . . 74.11 111.244 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.46 164.16 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.722 0.809 . . . . 73.04 110.059 173.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -134.27 149.16 50.9 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.918 0.487 . . . . 53.13 111.645 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.7 -121.23 0.64 Allowed Glycine 0 CA--C 1.533 1.17 0 CA-C-N 115.741 -0.663 . . . . 62.32 112.196 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HG3' ' H ' ' A' ' 30' ' ' ASP . 23.6 tptm -157.49 149.11 22.02 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 117.67 0.735 . . . . 51.41 111.616 -174.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.1 p -50.5 -41.99 54.13 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.397 1.079 . . . . 63.23 113.466 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.433 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 16.3 m-20 -64.5 -33.0 74.87 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.41 0.684 . . . . 71.4 112.323 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -103.94 149.92 24.67 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.625 0.726 . . . . 65.13 112.824 -169.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.7 p -106.97 152.91 23.34 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.223 1.009 . . . . 60.01 110.191 173.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 t -128.1 156.74 42.34 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.442 0.697 . . . . 71.44 111.015 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.2 p -110.7 115.51 29.7 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.244 0.618 . . . . 73.41 110.454 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -95.6 130.68 42.38 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.884 0.874 . . . . 73.43 109.931 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -83.59 115.96 22.37 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.363 0.529 . . . . 71.43 110.29 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.94 116.74 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 C-N-CA 123.237 0.615 . . . . 74.54 110.004 176.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -99.7 116.26 31.38 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.499 0.719 . . . . 55.41 109.722 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.1 mm -86.33 108.28 16.91 Favored Pre-proline 0 CA--C 1.563 1.461 0 C-N-CA 123.208 0.603 . . . . 74.11 110.367 -177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.19 161.59 44.12 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.955 2.436 . . . . 64.22 113.462 -176.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.98 118.63 11.42 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.53 0.732 . . . . 75.53 111.596 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.79 -7.38 67.77 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-N 116.152 -0.476 . . . . 72.43 113.337 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -108.09 137.13 46.6 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.118 0.967 . . . . 75.01 109.681 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -117.05 134.37 54.84 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.686 0.794 . . . . 70.44 110.355 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.408 ' OH ' HG21 ' A' ' 53' ' ' VAL . 86.8 t80 -64.7 114.1 4.21 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.68 0.392 . . . . 73.21 110.987 177.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.5 t -97.38 -50.87 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.249 0.62 . . . . 71.31 110.784 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.19 -173.98 38.62 Favored Glycine 0 N--CA 1.472 1.061 0 CA-C-N 116.06 -0.518 . . . . 73.41 113.396 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 m -138.85 142.51 38.63 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.586 0.754 . . . . 72.44 110.626 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -123.07 150.97 42.46 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.892 1.277 . . . . 61.43 109.897 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.72 -76.22 2.13 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 113.622 0.209 . . . . 73.25 113.622 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.415 ' H ' HG13 ' A' ' 72' ' ' VAL . . . -86.8 178.18 48.43 Favored Glycine 0 N--CA 1.477 1.416 0 N-CA-C 113.924 0.33 . . . . 64.11 113.924 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.0 t -94.9 107.35 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.682 -0.488 . . . . 74.25 109.682 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.408 HG21 ' OH ' ' A' ' 45' ' ' TYR . 10.2 p -80.56 148.99 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 CA-C-O 121.117 0.484 . . . . 71.24 111.829 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 t -67.85 160.16 28.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.334 0.654 . . . . 75.21 111.109 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.7 p -56.47 -37.39 70.24 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.882 0.873 . . . . 74.24 113.01 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.64 -18.33 35.75 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.15 0.58 . . . . 72.4 112.514 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.23 16.73 80.44 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 114.065 0.386 . . . . 54.14 114.065 -170.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -79.61 -26.15 41.27 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 122.956 0.502 . . . . 45.43 111.36 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.1 p -141.75 162.9 34.34 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.645 1.178 . . . . 75.02 111.206 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 72' ' ' VAL . 69.5 t -132.36 127.08 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 124.236 1.014 . . . . 71.31 110.155 172.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.6 m -78.27 104.91 9.16 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.101 0.56 . . . . 74.41 109.769 170.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.518 HG12 HG21 ' A' ' 72' ' ' VAL . 36.1 mt -98.36 133.86 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.887 0.875 . . . . 74.43 109.19 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.1 m -121.91 131.05 53.82 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.429 -0.582 . . . . 60.34 109.429 173.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -73.44 116.22 13.75 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.694 0.798 . . . . 74.23 111.633 -168.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.673 ' HB3' ' HB3' ' A' ' 69' ' ' SER . . . -148.97 114.64 5.64 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.019 0.528 . . . . 71.32 110.484 177.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.62 3.64 2.33 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 114.157 1.169 . . . . 71.44 114.157 -176.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.36 45.17 1.22 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.716 0.807 . . . . 74.41 111.08 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 57.33 25.18 10.9 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.556 1.542 . . . . 74.43 113.303 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.673 ' HB3' ' HB3' ' A' ' 65' ' ' ALA . 44.6 t -101.21 -9.61 21.12 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.258 0.623 . . . . 73.55 111.374 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.4 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 9.2 p-10 -76.51 -26.36 55.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.035 0.934 . . . . 73.31 112.251 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -84.96 126.51 33.58 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 121.442 0.639 . . . . 74.14 111.746 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 60' ' ' VAL . 59.6 t -118.18 120.81 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.882 1.273 . . . . 64.45 109.734 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.92 107.84 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.096 0 C-N-CA 123.125 0.57 . . . . 52.11 110.838 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.9 mm -84.53 142.36 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 109.564 -0.532 . . . . 75.23 109.564 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -111.67 132.49 54.56 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.14 0.576 . . . . 51.2 111.58 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.526 HD12 HG21 ' A' ' 19' ' ' VAL . 98.5 mt -133.05 168.27 18.79 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.932 1.293 . . . . 65.15 110.75 -176.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.596 ' HG3' ' HB2' ' A' ' 13' ' ' ASP . 79.7 tttt -146.17 143.8 29.52 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 120.9 0.381 . . . . 65.03 111.802 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -84.95 124.3 31.51 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.933 0.493 . . . . 55.04 110.411 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.46 135.75 5.77 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 114.072 0.389 . . . . 61.1 114.072 -177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 CA--C 1.565 1.531 0 C-N-CA 123.846 0.858 . . . . 73.11 112.337 171.781 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.561 1.402 0 N-CA-C 108.035 -1.098 . . . . 71.01 108.035 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -91.41 158.29 16.6 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.226 1.01 . . . . 61.11 112.547 -163.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -97.54 162.29 13.37 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.488 0.661 . . . . 63.44 112.493 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -141.82 117.94 10.67 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 114.63 -1.168 . . . . 74.33 108.171 168.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.9 m -104.52 125.03 50.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.467 0.707 . . . . 70.22 111.698 -169.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.67 126.97 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 123.654 0.782 . . . . 71.11 108.924 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.6 m -131.53 112.09 12.34 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.75 0.309 . . . . 74.44 111.421 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -80.06 128.23 33.25 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.999 0.519 . . . . 73.34 109.701 170.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.96 154.63 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 124.395 1.078 . . . . 63.24 109.554 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -106.29 122.86 47.09 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 121.591 0.71 . . . . 71.21 112.05 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.24 -38.39 26.49 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 126.066 1.746 . . . . 44.33 113.332 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.91 -33.45 75.74 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.759 0.824 . . . . 54.42 112.965 -171.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.578 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -113.11 30.69 6.99 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.671 0.788 . . . . 73.33 110.852 -176.173 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.49 28.32 72.52 Favored Glycine 0 CA--C 1.534 1.258 0 N-CA-C 114.977 0.751 . . . . 52.31 114.977 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.49 55.22 2.5 Favored Glycine 0 CA--C 1.534 1.235 0 N-CA-C 114.066 0.386 . . . . 55.44 114.066 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.73 140.0 31.96 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.151 0.475 . . . . 73.31 110.838 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 21' ' ' ASP . 7.9 tt0 -61.45 125.17 22.82 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.981 0.913 . . . . 74.53 113.127 -173.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.6 t -98.7 110.27 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.386 1.074 . . . . 75.53 109.26 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.28 -110.16 3.05 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 112.091 -0.404 . . . . 65.43 112.091 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 3.5 p30 -149.61 178.65 8.65 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.398 0.618 . . . . 74.14 112.06 175.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.4 mt -92.94 128.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 C-N-CA 123.709 0.804 . . . . 74.42 110.862 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.4 t -100.71 101.85 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.617 0.767 . . . . 63.31 109.478 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -108.25 117.79 35.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 122.01 -0.432 . . . . 61.53 110.262 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.62 156.74 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.482 0.713 . . . . 72.1 111.348 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.2 p -111.65 151.1 29.23 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 122.979 0.512 . . . . 65.21 111.957 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.14 -137.45 2.45 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-N 115.836 -0.62 . . . . 74.35 112.619 -175.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -134.28 149.39 50.92 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.445 0.698 . . . . 74.51 110.497 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.0 p -48.07 -46.41 33.62 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.792 0.837 . . . . 73.42 113.235 172.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.08 -25.64 55.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.465 0.706 . . . . 73.33 112.088 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.89 152.35 21.29 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.587 0.708 . . . . 75.31 112.275 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -138.26 167.5 21.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.288 1.035 . . . . 61.12 110.276 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -148.97 161.08 42.63 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.463 0.705 . . . . 72.2 111.236 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.0 p -111.95 116.01 29.9 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.098 0.559 . . . . 63.3 109.919 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -99.43 123.17 43.47 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.322 1.049 . . . . 74.2 110.106 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -73.42 126.78 30.95 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.006 0.431 . . . . 62.52 110.834 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.62 127.52 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.366 0.666 . . . . 75.22 109.742 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.9 m -110.7 107.65 17.28 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.129 0.972 . . . . 34.11 110.235 -172.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.4 mm -90.74 111.57 48.58 Favored Pre-proline 0 CA--C 1.562 1.44 0 C-N-CA 123.606 0.762 . . . . 74.01 110.474 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.48 162.54 39.81 Favored 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 123.224 2.616 . . . . 41.34 113.491 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.06 128.67 36.72 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.489 0.716 . . . . 74.13 111.511 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.63 6.56 83.03 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 116.116 -0.493 . . . . 24.33 113.759 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . 82.1 m-85 -119.91 141.66 49.41 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.752 0.821 . . . . 74.3 110.415 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -120.76 123.19 42.05 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.255 1.022 . . . . 72.12 109.669 -173.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.443 ' HA ' HD23 ' A' ' 76' ' ' LEU . 70.5 t80 -58.81 129.23 41.13 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.903 0.705 . . . . 75.42 112.903 -176.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.91 -65.71 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 124.064 0.945 . . . . 75.44 110.167 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.72 167.69 40.03 Favored Glycine 0 C--N 1.343 0.952 0 CA-C-N 115.506 -0.77 . . . . 32.25 112.817 -172.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.4 m -118.97 135.37 54.64 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.348 1.059 . . . . 75.53 109.884 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.78 150.68 35.03 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.819 0.848 . . . . 63.21 110.397 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.07 -69.65 1.35 Allowed Glycine 0 CA--C 1.532 1.127 0 CA-C-N 116.356 -0.384 . . . . 72.14 113.424 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' N ' HG22 ' A' ' 72' ' ' VAL . . . -90.68 -173.78 44.31 Favored Glycine 0 N--CA 1.476 1.365 0 N-CA-C 113.867 0.307 . . . . 65.11 113.867 -177.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -102.28 112.25 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 C-N-CA 123.176 0.59 . . . . 75.13 109.531 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.403 HG21 ' OH ' ' A' ' 45' ' ' TYR . 9.9 p -84.51 154.67 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-O 121.395 0.616 . . . . 62.03 111.608 -175.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.7 t -63.27 160.07 16.54 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.862 1.265 . . . . 63.32 112.167 172.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.4 m -67.57 -33.9 75.96 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.392 0.677 . . . . 74.43 111.251 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.59 -13.26 43.3 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.698 0.799 . . . . 73.45 111.789 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.93 23.64 77.48 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-N 116.542 -0.299 . . . . 64.2 113.214 -172.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -79.4 -25.1 42.17 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.237 0.615 . . . . 71.23 112.18 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 t -151.49 172.34 16.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.696 0.798 . . . . 65.23 110.919 -175.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 HG11 ' A' ' 72' ' ' VAL . 3.7 p -147.13 127.88 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 124.161 0.985 . . . . 73.2 110.525 177.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -79.79 107.92 12.95 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.134 0.573 . . . . 70.42 109.869 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.575 HG12 HG21 ' A' ' 72' ' ' VAL . 30.0 mt -112.8 133.44 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.378 1.071 . . . . 62.42 110.677 -177.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.4 m -113.82 143.51 44.54 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.188 0.595 . . . . 25.14 110.328 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -78.63 139.91 38.49 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.562 0.745 . . . . 74.25 110.804 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.05 140.2 32.52 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.099 0.407 . . . . 72.25 112.099 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.79 -17.85 58.78 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.164 0.586 . . . . 64.24 110.895 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -93.08 179.61 5.38 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.893 0.877 . . . . 63.43 109.628 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -83.85 28.76 0.57 Allowed 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 123.425 0.69 . . . . 73.13 111.891 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -90.03 -3.38 58.0 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.333 1.053 . . . . 63.24 111.937 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.492 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 9.8 p-10 -81.33 -40.57 23.37 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.418 1.087 . . . . 64.22 113.536 -175.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -66.44 121.4 15.22 Favored 'General case' 0 CA--C 1.557 1.214 0 N-CA-C 113.848 1.055 . . . . 75.53 113.848 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.575 HG21 HG12 ' A' ' 62' ' ' ILE . 76.0 t -110.05 125.01 67.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 125.428 1.491 . . . . 63.31 110.175 175.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.92 120.24 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.344 0.658 . . . . 71.23 111.072 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.0 mm -92.74 137.47 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 124.043 0.937 . . . . 71.51 109.45 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -116.0 139.54 50.16 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 123.459 0.704 . . . . 72.51 111.168 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.445 ' HB3' ' HB3' ' A' ' 43' ' ' TYR . 40.7 mt -139.16 139.07 37.48 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 123.936 0.894 . . . . 63.44 111.897 -175.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -93.36 159.32 15.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.721 -1.237 . . . . 71.22 110.047 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -84.12 149.98 25.84 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 122.057 -0.402 . . . . 64.4 110.932 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.87 96.9 1.92 Allowed Glycine 0 CA--C 1.532 1.105 0 CA-C-N 116.028 -0.533 . . . . 71.41 112.066 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 CA--C 1.557 1.244 0 C-N-CA 123.151 0.581 . . . . 72.13 110.617 179.211 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 108.468 -0.938 . . . . 74.13 108.468 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -92.25 140.56 29.49 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.911 -0.493 . . . . 64.42 110.629 -168.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -117.38 155.06 30.25 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.217 0.607 . . . . 62.5 111.665 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.87 133.11 39.34 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.966 0.907 . . . . 65.44 109.611 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.5 p -112.54 136.14 52.42 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.175 0.59 . . . . 61.34 111.487 -169.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.04 115.2 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 123.614 0.766 . . . . 71.02 109.413 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.3 m -112.94 112.88 24.67 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.322 0.649 . . . . 72.13 110.806 -176.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -78.88 136.59 37.34 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.274 0.63 . . . . 72.54 109.951 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.0 145.29 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 C-N-CA 123.712 0.805 . . . . 72.54 111.103 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -106.65 127.12 53.09 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.445 0.698 . . . . 74.55 111.492 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.66 -38.39 89.21 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.566 1.147 . . . . 62.22 112.002 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -78.76 0.71 25.78 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.402 0.681 . . . . 74.21 112.582 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.88 18.29 14.04 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 123.303 0.641 . . . . 73.15 109.953 172.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.87 37.55 60.84 Favored Glycine 0 C--N 1.354 1.554 0 N-CA-C 114.214 0.446 . . . . 44.35 114.214 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.09 32.26 69.32 Favored Glycine 0 CA--C 1.54 1.633 0 N-CA-C 113.67 0.228 . . . . 71.0 113.67 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.65 147.39 27.72 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.184 0.594 . . . . 64.52 111.974 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -61.28 125.05 22.37 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 123.462 0.705 . . . . 55.22 112.683 -175.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.2 t -92.12 110.35 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.994 0.918 . . . . 75.02 109.357 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.72 -104.01 1.46 Allowed Glycine 0 CA--C 1.535 1.329 0 CA-C-N 116.247 -0.433 . . . . 62.11 113.334 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -149.98 155.72 40.45 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 123.161 0.584 . . . . 63.41 111.383 -172.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.32 139.86 17.42 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 C-N-CA 124.077 0.951 . . . . 74.12 111.044 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.74 102.8 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.194 0.998 . . . . 75.33 110.276 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.9 m -94.85 137.99 33.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.87 -0.519 . . . . 55.2 110.95 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -124.09 139.89 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.907 0.883 . . . . 64.22 110.097 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -121.19 136.12 55.03 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 123.006 0.522 . . . . 73.53 111.608 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.31 -133.5 1.63 Allowed Glycine 0 CA--C 1.536 1.378 0 CA-C-N 115.559 -0.746 . . . . 60.24 111.882 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -135.87 151.52 50.1 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 117.842 0.821 . . . . 73.14 111.155 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.3 m -57.91 -29.82 65.4 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.029 0.932 . . . . 71.31 113.124 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.62 -33.12 73.38 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.748 0.819 . . . . 60.13 112.771 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -115.19 153.47 30.77 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.522 0.729 . . . . 75.34 111.889 -177.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 p -115.88 148.65 39.75 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.803 0.841 . . . . 63.12 111.178 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -116.03 138.42 51.24 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.182 0.993 . . . . 62.51 110.513 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -102.42 109.1 20.64 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.84 -0.538 . . . . 73.11 109.725 176.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -91.36 133.18 35.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.838 0.855 . . . . 73.32 110.837 -175.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -83.67 124.02 30.41 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.167 0.587 . . . . 72.55 110.871 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.0 t -76.53 126.91 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 123.407 0.683 . . . . 62.25 110.552 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 m -113.52 106.03 14.07 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.133 0.973 . . . . 70.04 109.976 -172.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.5 mm -91.64 111.33 48.79 Favored Pre-proline 0 CA--C 1.563 1.466 0 C-N-CA 122.959 0.504 . . . . 61.22 110.887 -175.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.66 163.67 36.76 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.812 2.341 . . . . 63.43 114.098 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.77 131.47 48.97 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.072 0.949 . . . . 71.5 112.352 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.515 ' HA2' ' HB3' ' A' ' 80' ' ' LEU . . . 96.04 -21.36 45.52 Favored Glycine 0 C--N 1.349 1.285 0 CA-C-N 116.195 -0.457 . . . . 41.22 112.9 -177.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -108.97 164.15 12.66 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.691 0.796 . . . . 72.31 111.037 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' HB2' ' HA3' ' A' ' 79' ' ' GLY . 3.9 tm-20 -149.92 141.88 23.86 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.939 0.896 . . . . 62.4 109.196 -172.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -71.28 130.24 40.9 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 113.254 0.835 . . . . 74.34 113.254 -172.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.48 -62.72 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 123.423 0.689 . . . . 74.51 110.603 172.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.32 -173.97 37.38 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 116.03 -0.532 . . . . 74.33 113.176 -171.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.626 HG23 HG13 ' A' ' 72' ' ' VAL . 12.8 m -134.16 138.81 45.43 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.96 0.904 . . . . 72.21 110.76 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.487 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 32.1 t70 -123.07 102.98 8.29 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.522 0.729 . . . . 75.34 110.02 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.71 147.7 12.65 Favored Glycine 0 N--CA 1.48 1.608 0 CA-C-O 119.899 -0.39 . . . . 52.21 112.272 -172.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.47 -163.98 52.85 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 117.368 0.584 . . . . 72.54 113.964 -176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.24 107.74 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 123.551 0.74 . . . . 63.31 109.595 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.502 HG23 HG22 ' A' ' 60' ' ' VAL . 12.3 p -87.63 151.65 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 CA-C-O 121.229 0.538 . . . . 62.22 112.131 -176.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 t -69.74 150.47 46.9 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.904 0.882 . . . . 72.02 110.614 169.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.9 m -61.15 -29.48 69.81 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.327 0.651 . . . . 75.14 111.983 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.452 ' HB2' ' HG2' ' A' ' 58' ' ' LYS . 4.2 m-20 -82.47 -18.39 41.89 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.929 0.892 . . . . 71.03 111.873 178.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.13 22.55 78.5 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 113.736 0.254 . . . . 75.15 113.736 -173.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.452 ' HG2' ' HB2' ' A' ' 56' ' ' ASP . 11.3 ptmm? -82.62 -34.97 27.4 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.879 0.872 . . . . 70.41 112.29 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 p -145.34 148.33 33.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.446 1.098 . . . . 73.0 110.634 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.502 HG22 HG23 ' A' ' 53' ' ' VAL . 47.1 t -124.27 123.15 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.601 0.76 . . . . 74.34 109.642 174.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.7 m -71.64 110.41 6.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.229 0.612 . . . . 73.21 110.062 169.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.94 146.26 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.437 1.095 . . . . 73.33 109.465 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.6 m -122.13 144.16 49.11 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 109.021 -0.733 . . . . 74.24 109.021 172.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -68.54 113.33 5.98 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 120.946 0.403 . . . . 75.34 110.973 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.56 141.33 47.66 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.395 0.678 . . . . 41.14 111.166 -171.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.18 17.94 1.52 Allowed 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 112.765 0.654 . . . . 55.54 112.765 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -149.97 -173.14 4.34 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.101 0.96 . . . . 71.25 111.111 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -83.03 -0.08 47.24 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 114.56 1.319 . . . . 64.45 114.56 -171.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -55.16 -37.84 67.52 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 112.737 0.643 . . . . 75.22 112.737 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -118.58 5.79 11.66 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.773 0.829 . . . . 72.24 112.066 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -75.63 102.81 5.48 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.666 -0.865 . . . . 72.53 108.666 167.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.626 HG13 HG23 ' A' ' 48' ' ' THR . 74.9 t -87.86 119.73 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 123.969 0.908 . . . . 52.0 111.147 -167.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 55.6 t -101.92 106.37 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 108.994 -0.743 . . . . 73.11 108.994 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 mm -84.21 111.3 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.716 -0.846 . . . . 55.23 108.716 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -85.1 131.71 34.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.817 0.447 . . . . 73.51 110.01 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.7 mt -126.06 167.83 14.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.546 1.138 . . . . 63.01 109.838 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -151.54 167.22 28.73 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.201 1.0 . . . . 70.25 108.87 171.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -72.39 115.58 11.81 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 121.116 0.484 . . . . 72.25 111.129 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.43 ' HA3' ' HB2' ' A' ' 44' ' ' GLU . . . -116.06 12.08 17.27 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 115.518 -0.765 . . . . 65.04 111.561 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.515 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . 59.2 tp . . . . . 0 CA--C 1.552 1.037 0 C-N-CA 125.334 1.453 . . . . 62.42 108.564 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.751 -0.463 . . . . 73.23 109.751 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -97.53 152.99 18.45 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.249 0.547 . . . . 63.42 111.844 -173.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.456 ' HB3' HG22 ' A' ' 26' ' ' THR . 0.6 OUTLIER -115.2 165.08 13.32 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.709 0.803 . . . . 73.22 112.04 -178.732 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.21 131.56 20.86 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.642 1.177 . . . . 75.55 109.794 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 p -101.88 146.83 27.29 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.15 0.58 . . . . 74.42 111.449 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.8 mp -116.33 118.13 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 108.699 -0.852 . . . . 53.3 108.699 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -110.09 108.53 18.75 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.102 0.961 . . . . 71.21 110.771 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.69 131.48 37.73 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.817 0.447 . . . . 62.32 110.196 171.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -131.08 157.93 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.852 0.861 . . . . 71.33 110.937 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -116.91 98.49 6.52 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.88 0.872 . . . . 70.22 109.421 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.15 -20.99 63.34 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.355 1.462 . . . . 71.33 113.195 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.35 -29.06 69.66 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.791 0.836 . . . . 53.02 110.943 173.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -119.37 30.72 6.96 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.094 0.958 . . . . 73.13 110.816 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.43 40.67 91.35 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.854 -0.612 . . . . 62.5 114.503 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.42 46.01 7.12 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 114.346 0.498 . . . . 74.44 114.346 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.57 125.36 29.09 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.302 0.641 . . . . 54.01 111.2 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.16 124.79 21.35 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.287 0.565 . . . . 75.11 112.183 -173.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.4 t -100.54 112.96 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 123.657 0.783 . . . . 51.31 110.052 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.72 -110.36 3.05 Favored Glycine 0 CA--C 1.54 1.644 0 N-CA-C 114.111 0.405 . . . . 40.02 114.111 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -143.54 157.93 44.05 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.368 0.667 . . . . 74.1 111.611 -171.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.3 mm -85.25 135.21 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.744 0.817 . . . . 71.14 110.63 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 35.3 t -104.31 105.03 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.142 0.577 . . . . 41.24 110.957 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 m -92.0 127.08 37.34 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 122.069 -0.394 . . . . 65.53 110.331 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.3 m -123.16 144.96 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.045 0.938 . . . . 72.5 109.987 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 4' ' ' ASP . 22.3 p -112.05 151.36 29.45 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 123.099 0.56 . . . . 71.12 112.297 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.88 -134.08 2.34 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 115.796 -0.638 . . . . 50.03 113.62 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -133.28 138.93 46.64 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 122.22 -0.577 . . . . 54.21 111.273 -166.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 m -43.37 -51.33 6.48 Favored 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 125.224 1.409 . . . . 74.54 113.673 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -76.32 -32.52 58.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.278 0.631 . . . . 74.12 112.487 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -83.86 146.28 28.17 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.759 0.651 . . . . 72.01 112.759 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 p -107.2 138.01 44.2 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.515 -0.766 . . . . 65.15 109.75 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 61' ' ' THR . 14.3 t -97.72 161.48 13.74 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 123.84 0.856 . . . . 73.11 111.108 175.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.606 HG22 HG22 ' A' ' 61' ' ' THR . 58.6 p -111.6 111.78 23.02 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 121.2 0.524 . . . . 35.45 110.07 174.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.83 126.35 53.72 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.662 0.785 . . . . 74.44 109.074 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -80.25 135.53 36.27 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.849 0.357 . . . . 74.53 110.892 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.6 t -75.26 126.52 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 C-N-CA 123.586 0.754 . . . . 74.03 110.133 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 m -105.24 105.47 15.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.868 0.867 . . . . 65.22 108.917 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.3 mm -86.71 113.7 54.32 Favored Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 123.391 0.676 . . . . 64.23 110.558 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -75.96 156.09 38.72 Favored 'Trans proline' 0 C--N 1.372 1.788 0 C-N-CA 122.355 2.036 . . . . 50.4 112.602 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.8 136.29 56.73 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.425 0.69 . . . . 63.2 111.297 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.84 -25.53 23.1 Favored Glycine 0 N--CA 1.478 1.473 0 CA-C-N 116.462 -0.335 . . . . 61.42 113.472 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -100.05 144.66 28.83 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.667 0.787 . . . . 70.25 110.051 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.3 133.07 52.76 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.74 0.816 . . . . 75.03 109.542 -173.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -67.64 116.79 8.75 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.29 1.036 . . . . 70.13 112.626 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.705 HG22 ' HD2' ' A' ' 77' ' ' LYS . 48.7 t -81.55 -55.38 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-O 121.628 0.728 . . . . 75.13 109.461 173.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.59 -170.55 42.31 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 114.782 -1.099 . . . . 72.43 112.436 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.5 m -126.3 134.02 51.24 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.64 0.776 . . . . 72.4 110.739 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -121.34 121.1 36.91 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.962 0.905 . . . . 62.53 109.242 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.39 148.99 23.8 Favored Glycine 0 N--CA 1.479 1.539 0 N-CA-C 112.223 -0.351 . . . . 64.12 112.223 -172.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.31 -155.72 46.24 Favored Glycine 0 CA--C 1.535 1.327 0 CA-C-N 117.066 0.433 . . . . 65.23 113.218 -174.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.5 t -125.63 108.79 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.752 -0.833 . . . . 74.41 108.752 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -75.11 144.49 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 O-C-N 122.136 -0.352 . . . . 54.13 110.415 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.5 t -58.28 155.27 11.86 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.857 0.863 . . . . 62.25 112.212 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.5 p -64.39 -24.73 67.74 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.19 0.596 . . . . 71.51 111.643 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.36 -19.43 42.75 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.778 0.831 . . . . 73.14 111.771 175.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.34 3.07 56.49 Favored Glycine 0 CA--C 1.542 1.732 0 CA-C-N 116.431 -0.349 . . . . 71.43 113.846 -172.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -79.2 -37.36 38.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.618 0.767 . . . . 74.04 111.894 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.5 p -121.42 162.77 19.85 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.48 0.712 . . . . 64.43 110.597 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.511 HG11 HG11 ' A' ' 72' ' ' VAL . 68.0 t -128.96 132.36 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.142 0.977 . . . . 54.35 108.944 171.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.606 HG22 HG22 ' A' ' 34' ' ' THR . 69.9 p -93.27 106.47 18.43 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 122.683 0.393 . . . . 70.33 110.069 172.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 mp -99.8 129.1 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.999 0.52 . . . . 72.54 109.998 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.4 m -99.79 138.9 36.23 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.687 -0.486 . . . . 75.02 109.687 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -82.03 137.35 35.1 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.49 0.716 . . . . 71.41 112.453 -168.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.47 147.62 41.59 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.66 0.784 . . . . 62.15 111.135 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.04 -23.23 60.56 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.429 0.692 . . . . 63.44 111.632 173.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -85.27 172.43 11.14 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.944 0.898 . . . . 75.54 111.338 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.88 26.05 0.53 Allowed 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 124.029 0.932 . . . . 72.24 111.958 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.0 m -93.21 -9.1 40.43 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.073 0.949 . . . . 63.21 111.232 168.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.16 -38.79 90.35 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.77 1.228 . . . . 64.33 112.56 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -75.9 130.04 37.89 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.898 -1.046 . . . . 73.52 113.661 -166.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.511 HG11 HG11 ' A' ' 60' ' ' VAL . 73.1 t -100.94 128.75 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 114.83 -1.077 . . . . 71.14 110.083 177.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.7 t -94.99 107.63 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.684 0.794 . . . . 73.42 109.614 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.0 mm -86.75 115.66 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.967 -0.753 . . . . 71.23 108.967 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -89.84 132.28 35.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.449 0.7 . . . . 61.13 111.755 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.6 mt -130.93 166.22 21.42 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.868 1.267 . . . . 42.5 109.621 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.705 ' HD2' HG22 ' A' ' 46' ' ' VAL . 13.6 ptmm? -157.63 150.78 23.38 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.898 0.479 . . . . 64.22 109.845 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -72.96 120.95 19.29 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 122.049 -0.407 . . . . 75.43 110.406 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -168.85 141.7 6.91 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 119.411 -0.66 . . . . 75.1 112.589 -174.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.6 tp . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 122.426 1.108 . . . . 61.23 108.991 -171.678 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 CA--C 1.554 1.133 0 CA-C-O 121.235 0.541 . . . . 74.11 110.816 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -91.89 163.68 13.94 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.938 0.895 . . . . 63.41 111.214 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -121.97 141.92 50.84 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.473 0.709 . . . . 74.25 111.255 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.45 138.05 51.21 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.384 1.074 . . . . 73.13 110.766 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -115.11 129.12 56.6 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.438 0.695 . . . . 65.4 111.685 -174.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.426 HD12 ' HB ' ' A' ' 72' ' ' VAL . 25.4 mm -94.0 113.04 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.568 -0.901 . . . . 74.51 108.568 172.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.5 m -110.41 102.08 10.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.22 1.008 . . . . 54.2 110.247 -171.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -77.28 120.24 22.04 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.494 -0.558 . . . . 73.03 109.494 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.479 ' HB ' ' HA2' ' A' ' 16' ' ' GLY . 27.4 m -119.45 144.28 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.191 0.597 . . . . 64.24 110.807 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.47 90.1 5.06 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.615 -0.883 . . . . 72.0 108.615 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.15 -31.24 67.03 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.978 1.311 . . . . 71.23 111.744 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 77' ' ' LYS . 13.8 t70 -64.56 -22.4 66.96 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.907 0.883 . . . . 72.42 111.319 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -113.86 23.08 13.36 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.228 1.011 . . . . 74.21 110.735 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.58 26.16 70.71 Favored Glycine 0 N--CA 1.482 1.761 0 N-CA-C 115.193 0.837 . . . . 72.44 115.193 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.479 ' HA2' ' HB ' ' A' ' 10' ' ' VAL . . . 94.74 101.38 1.75 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 122.799 0.238 . . . . 52.43 113.35 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.41 132.99 19.8 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.778 0.831 . . . . 74.04 109.896 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -63.22 117.27 6.33 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.57 0.7 . . . . 74.41 112.399 -173.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.3 t -124.27 144.84 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 125.108 1.363 . . . . 74.12 109.586 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.56 -113.37 4.8 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 114.466 0.547 . . . . 60.34 114.466 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -121.78 146.32 47.18 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 113.173 0.805 . . . . 73.15 113.173 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mt -96.76 111.61 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 108.149 -1.056 . . . . 73.31 108.149 162.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -100.39 102.26 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-O 120.782 0.325 . . . . 74.43 110.559 -174.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -96.63 112.27 24.08 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.087 0.555 . . . . 72.54 110.666 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.34 152.79 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.416 0.686 . . . . 41.42 110.13 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -123.61 147.2 47.57 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 122.812 0.445 . . . . 73.24 111.878 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.16 171.23 36.91 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 116.084 -0.507 . . . . 32.13 112.309 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -92.67 160.81 14.82 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 117.496 0.648 . . . . 63.13 109.743 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.6 t -55.0 -28.14 49.61 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 114.916 1.45 . . . . 74.25 114.916 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.43 -28.08 61.79 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.682 0.793 . . . . 52.21 111.551 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -90.28 132.18 35.68 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.725 0.81 . . . . 51.44 111.426 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.7 p -119.37 139.83 51.36 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.7 0.8 . . . . 73.41 109.582 172.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -126.52 162.32 25.91 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.27 1.028 . . . . 74.3 110.179 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -125.65 113.95 18.05 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.116 0.484 . . . . 74.41 110.995 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -92.13 136.02 33.52 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.25 1.02 . . . . 72.15 110.288 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.2 m -89.83 118.81 29.69 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.539 0.335 . . . . 70.0 110.141 174.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.5 t -75.3 126.21 35.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 123.95 0.9 . . . . 40.11 110.954 -175.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.2 m -113.04 102.79 10.74 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.549 1.14 . . . . 73.34 109.848 -173.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.66 HD12 HD21 ' A' ' 76' ' ' LEU . 23.4 mm -88.96 118.52 69.32 Favored Pre-proline 0 N--CA 1.484 1.254 0 C-N-CA 122.928 0.491 . . . . 72.33 110.578 -178.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -62.46 135.93 56.21 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.603 2.202 . . . . 70.44 112.29 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -64.96 136.47 56.85 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 122.945 0.498 . . . . 70.12 111.039 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.16 -20.66 39.88 Favored Glycine 0 N--CA 1.478 1.444 0 CA-C-N 116.135 -0.484 . . . . 75.22 112.385 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -107.04 146.47 31.12 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.253 1.021 . . . . 74.41 109.547 175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -111.0 137.48 48.58 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.041 0.448 . . . . 73.4 110.492 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -66.71 107.99 2.33 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.039 0.936 . . . . 75.12 111.195 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.6 t -81.21 -42.66 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-O 121.363 0.601 . . . . 72.52 109.429 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.05 -177.06 38.4 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.163 -0.926 . . . . 64.42 113.344 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.1 m -111.8 141.85 44.91 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.322 1.049 . . . . 54.34 110.437 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -125.96 119.24 27.2 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.854 0.861 . . . . 64.52 109.259 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.53 154.56 31.13 Favored Glycine 0 N--CA 1.482 1.732 0 CA-C-N 117.758 0.254 . . . . 21.15 113.08 -175.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.65 -152.36 49.1 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 117.027 0.413 . . . . 63.21 113.406 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.454 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 91.0 t -128.93 105.74 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 123.3 0.64 . . . . 74.11 109.824 175.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.0 137.35 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 CA-C-O 121.242 0.544 . . . . 54.35 111.264 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.3 t -78.64 169.74 17.77 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.681 0.792 . . . . 73.21 111.583 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.0 p -57.14 -45.46 83.51 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.233 1.013 . . . . 64.42 113.671 -171.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -89.28 -3.23 58.6 Favored 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 123.051 0.54 . . . . 65.14 111.357 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.82 8.72 78.12 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 115.317 0.887 . . . . 71.13 115.317 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -76.97 -27.19 54.67 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.497 0.719 . . . . 61.34 112.813 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.6 p -135.89 141.86 44.62 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.493 0.717 . . . . 71.13 111.721 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 80.7 t -126.78 126.91 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.024 0.93 . . . . 74.32 110.066 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.454 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 68.6 m -75.12 125.67 29.43 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.429 0.691 . . . . 72.43 111.026 174.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.6 mt -101.07 114.93 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 125.049 1.34 . . . . 74.43 108.904 172.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 m -121.57 117.57 27.08 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.232 -0.655 . . . . 73.55 109.232 174.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -69.68 144.01 52.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.688 0.795 . . . . 74.43 111.237 -171.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.62 156.27 36.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.855 0.462 . . . . 62.3 111.904 -177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.13 -20.91 63.22 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.481 0.712 . . . . 50.21 111.855 169.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -97.64 130.37 44.66 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.124 0.969 . . . . 73.44 108.871 167.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -72.78 72.27 1.06 Allowed 'General case' 0 CA--C 1.568 1.654 0 CA-C-O 122.321 1.058 . . . . 74.21 112.54 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.8 m -111.56 5.04 19.17 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.322 1.049 . . . . 72.41 110.635 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.19 -17.66 15.87 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.24 1.416 . . . . 75.32 111.611 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -78.44 108.13 11.58 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.44 0.696 . . . . 74.25 109.296 175.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.426 ' HB ' HD12 ' A' ' 7' ' ' ILE . 66.0 t -101.67 119.04 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.32 0.648 . . . . 72.42 111.291 -171.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.1 t -99.73 111.39 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 C-N-CA 123.935 0.894 . . . . 72.34 110.339 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.1 mm -89.42 116.79 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.258 0.623 . . . . 70.12 109.972 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -89.55 125.25 35.14 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.231 0.613 . . . . 73.22 110.593 -178.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.66 HD21 HD12 ' A' ' 39' ' ' ILE . 88.3 mt -126.72 135.91 51.75 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.263 0.625 . . . . 72.41 111.72 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 13' ' ' ASP . 22.1 ptmt -100.62 171.51 7.66 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.285 0.634 . . . . 74.32 110.157 174.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -88.39 145.77 25.61 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.63 -0.508 . . . . 73.02 109.63 170.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.47 174.75 55.04 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 113.975 0.35 . . . . 74.02 113.975 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 N--CA 1.493 1.682 0 C-N-CA 123.761 0.824 . . . . 60.1 110.78 172.945 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.509 -0.552 . . . . 73.04 109.509 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.562 ' HG3' HG23 ' A' ' 29' ' ' THR . 24.9 mm-40 -85.08 163.88 18.54 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.177 0.991 . . . . 73.4 110.749 -174.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -150.38 166.35 30.34 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 121.176 0.512 . . . . 52.12 112.113 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.07 144.64 31.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.261 1.024 . . . . 54.13 110.271 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.1 p -109.48 142.52 40.38 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.194 0.597 . . . . 74.43 111.442 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.521 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 48.4 mt -123.13 121.28 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 123.988 0.915 . . . . 73.03 110.779 -174.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -122.93 115.9 22.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.29 0.636 . . . . 62.34 110.969 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.09 140.74 34.9 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.994 0.518 . . . . 71.1 109.73 169.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.31 153.05 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.991 0.916 . . . . 71.13 110.106 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -112.33 102.34 10.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.738 0.815 . . . . 72.24 109.783 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . 21.6 t70 -56.55 -30.15 62.77 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.498 1.519 . . . . 75.33 112.185 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.8 -30.5 71.51 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.803 0.841 . . . . 72.25 111.646 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -110.07 45.15 1.13 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.147 0.979 . . . . 71.22 110.297 175.476 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.48 23.72 68.78 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.376 0.91 . . . . 72.44 115.376 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.75 39.17 6.69 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 116.955 0.378 . . . . 32.34 112.859 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.97 117.67 12.76 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.506 0.722 . . . . 65.42 111.887 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -60.13 127.71 33.21 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 123.384 0.674 . . . . 74.03 111.956 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -104.2 106.05 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.918 0.887 . . . . 74.23 108.918 -177.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.83 -160.12 48.35 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 116.864 -0.153 . . . . 73.24 112.917 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -106.51 177.03 4.98 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.314 0.646 . . . . 72.12 111.889 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.3 mt -81.05 125.3 39.45 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.329 0 CA-C-N 115.57 -0.741 . . . . 70.12 110.657 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 51.7 t -101.36 116.65 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.991 0.916 . . . . 75.43 110.173 -175.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 m -99.84 115.1 28.8 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.93 0.492 . . . . 71.22 110.877 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.496 HG23 ' HE1' ' A' ' 64' ' ' PHE . 20.9 m -104.51 141.1 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.243 0.617 . . . . 65.02 110.504 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -109.76 164.83 12.19 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 112.964 0.727 . . . . 75.15 112.964 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.92 -132.75 2.7 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.079 -0.509 . . . . 62.2 113.656 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' H ' ' A' ' 30' ' ' ASP . 5.4 tppp? -144.22 150.57 38.18 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.857 0.863 . . . . 71.42 109.901 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.562 HG23 ' HG3' ' A' ' 3' ' ' GLU . 21.2 p -47.28 -28.37 1.93 Allowed 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 114.373 1.249 . . . . 61.43 114.373 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.572 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 36.7 t70 -77.37 -38.9 49.14 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 123.536 0.734 . . . . 72.14 112.724 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.78 164.67 12.13 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 122.015 0.912 . . . . 75.53 112.784 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.4 p -131.57 162.13 31.03 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 114.421 -1.263 . . . . 74.11 111.058 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 t -137.62 161.06 37.47 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.056 0.942 . . . . 74.54 110.868 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.3 p -116.58 110.52 18.65 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.131 0.572 . . . . 72.54 109.958 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -83.21 141.17 32.1 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.066 0.947 . . . . 61.3 111.244 -177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -85.92 111.17 19.98 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.319 0.648 . . . . 70.33 110.198 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.2 t -82.76 110.43 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.399 0.68 . . . . 71.34 109.933 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.9 p -101.77 110.02 21.91 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.491 0.717 . . . . 74.35 110.249 -173.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.1 mm -91.37 114.83 63.01 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 123.954 0.901 . . . . 72.33 109.943 -175.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.41 167.71 23.18 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.701 2.267 . . . . 65.21 114.007 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -60.66 134.26 56.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.1 0.96 . . . . 53.02 112.354 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.35 -3.53 84.45 Favored Glycine 0 CA--C 1.54 1.639 0 CA-C-O 119.668 -0.518 . . . . 54.21 114.197 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -107.16 153.98 21.87 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.601 0.76 . . . . 74.01 111.374 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -128.72 137.28 51.51 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.956 1.302 . . . . 74.32 109.741 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.418 ' OH ' HG21 ' A' ' 53' ' ' VAL . 82.1 t80 -72.96 137.15 45.32 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.857 0.463 . . . . 72.43 111.971 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.05 -62.53 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 123.658 0.783 . . . . 64.05 111.318 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.86 -175.67 46.08 Favored Glycine 0 N--CA 1.482 1.714 0 N-CA-C 114.579 0.592 . . . . 43.31 114.579 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.5 m -132.85 141.4 48.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.103 0.961 . . . . 75.4 111.396 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.17 149.24 36.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.892 0.877 . . . . 54.31 109.77 170.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.0 -65.09 4.17 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 122.866 0.269 . . . . 42.12 113.388 -178.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.26 172.25 53.8 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 113.934 0.334 . . . . 44.33 113.934 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.83 112.11 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 123.858 0.863 . . . . 51.13 110.062 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.418 HG21 ' OH ' ' A' ' 45' ' ' TYR . 10.2 p -108.58 155.17 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.195 0.521 . . . . 54.02 112.149 -173.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p -84.02 157.07 21.96 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.629 0.772 . . . . 72.51 110.51 171.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.7 t -67.07 -23.42 65.86 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.51 0.724 . . . . 60.21 112.174 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.07 -20.72 64.98 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.845 0.683 . . . . 75.11 112.845 173.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.94 17.45 69.6 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 115.589 0.995 . . . . 23.22 115.589 174.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -102.37 -36.68 8.36 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.566 0.746 . . . . 74.33 111.296 177.223 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.7 p -114.07 126.38 55.04 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.234 0.614 . . . . 74.45 111.058 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.415 HG11 HG11 ' A' ' 72' ' ' VAL . 5.7 p -119.01 115.39 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.521 0.728 . . . . 74.34 109.675 169.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.8 m -71.68 116.85 12.53 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.333 0.653 . . . . 73.15 111.164 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.5 mt -105.62 121.85 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.687 1.195 . . . . 72.41 109.304 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 m -117.99 106.46 12.94 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.293 -0.632 . . . . 75.43 109.293 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.496 ' HE1' HG23 ' A' ' 25' ' ' VAL . 49.1 m-85 -54.95 135.9 47.99 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.336 1.054 . . . . 74.31 112.672 -169.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.28 136.14 23.38 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.654 0.382 . . . . 62.14 111.63 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.48 -10.31 57.5 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.469 0.708 . . . . 73.43 112.498 174.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -72.28 -29.26 63.71 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.857 0.863 . . . . 75.44 111.463 173.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 65.21 76.36 0.34 Allowed 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.482 1.113 . . . . 43.14 111.199 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.6 t -152.18 7.79 0.46 Allowed 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 123.892 0.877 . . . . 51.11 111.189 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -107.32 1.1 23.54 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.023 1.329 . . . . 52.14 111.072 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -66.55 137.42 56.76 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.968 1.307 . . . . 72.44 111.021 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.415 HG11 HG11 ' A' ' 60' ' ' VAL . 72.1 t -96.87 123.18 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 123.512 0.725 . . . . 72.25 111.775 -171.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.2 104.7 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.344 -0.613 . . . . 73.11 109.344 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.0 mm -85.47 135.97 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.469 0.707 . . . . 73.55 109.872 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -114.8 133.54 55.85 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.515 0.726 . . . . 75.13 110.397 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.3 mt -131.9 155.97 46.94 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.304 1.042 . . . . 72.24 110.834 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' A' ' 12' ' ' ASP . 45.2 mtpt -134.95 169.97 16.59 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.062 0.545 . . . . 74.04 110.148 171.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -96.78 135.46 38.7 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 122.205 -0.309 . . . . 72.13 111.114 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.34 -53.35 6.12 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 111.139 -0.785 . . . . 53.52 111.139 174.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.605 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.5 pt? . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 123.984 0.913 . . . . 70.41 109.999 168.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 121.342 0.592 . . . . 75.42 111.298 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.559 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -101.27 162.41 12.91 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.28 0.632 . . . . 64.13 111.372 -179.068 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -120.86 167.68 12.27 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.374 0.67 . . . . 71.25 112.228 -174.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.28 135.04 38.64 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.044 0.938 . . . . 71.34 110.045 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -102.28 126.01 49.15 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.61 0.764 . . . . 70.01 110.465 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.614 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mp -106.34 108.82 26.04 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.777 0.831 . . . . 53.32 109.069 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.9 m -121.04 118.13 29.0 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.569 0.748 . . . . 45.52 110.387 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.449 ' HD2' HD11 ' A' ' 76' ' ' LEU . 11.7 m-85 -74.21 144.69 44.62 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.478 0.711 . . . . 62.13 109.25 171.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.8 m -142.32 135.46 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 C-N-CA 123.165 0.586 . . . . 73.13 111.734 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.37 116.1 16.74 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.992 0.517 . . . . 70.44 109.994 165.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.18 -25.22 68.24 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 123.414 0.685 . . . . 62.41 110.508 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.03 -20.2 63.27 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.83 1.252 . . . . 64.52 112.209 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -107.14 16.68 23.86 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.414 0.686 . . . . 73.24 110.584 -178.024 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.91 34.97 71.8 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 116.377 -0.374 . . . . 74.4 113.563 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.02 30.38 38.46 Favored Glycine 0 CA--C 1.54 1.625 0 N-CA-C 114.279 0.472 . . . . 54.21 114.279 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 14' ' ' LYS . . . -98.46 155.28 17.33 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.489 0.716 . . . . 62.0 111.52 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.04 138.74 57.4 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 115.554 1.687 . . . . 63.41 115.554 -164.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.39 129.96 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.724 1.21 . . . . 71.32 109.784 167.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.91 -106.05 2.0 Allowed Glycine 0 CA--C 1.535 1.338 0 N-CA-C 114.205 0.442 . . . . 61.44 114.205 170.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -154.45 153.75 32.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.083 0.553 . . . . 74.32 111.333 -173.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt -80.96 137.11 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.641 0.776 . . . . 73.51 110.751 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.614 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 39.6 t -105.9 147.55 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 124.287 1.035 . . . . 72.05 109.026 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -133.7 120.93 21.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.679 -0.638 . . . . 73.22 110.307 175.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.0 m -110.81 142.35 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.208 0.603 . . . . 72.51 110.372 174.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.7 p -121.97 137.78 54.67 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 123.461 0.704 . . . . 72.12 110.997 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.72 -142.63 3.53 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 116.25 -0.432 . . . . 63.42 112.305 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -129.23 144.44 51.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.049 0.54 . . . . 75.44 110.805 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -53.68 -33.34 55.06 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.418 1.266 . . . . 60.42 114.418 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.22 -31.61 71.23 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 123.428 0.691 . . . . 74.33 111.976 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -98.55 162.89 12.9 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.43 0.692 . . . . 63.42 111.688 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.0 p -132.67 155.44 48.77 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.779 0.799 . . . . 52.53 111.215 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 t -132.0 162.11 31.52 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.883 1.273 . . . . 71.32 109.947 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 m -123.96 127.49 48.03 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 120.946 0.403 . . . . 72.33 111.209 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -113.64 130.93 56.31 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.346 1.058 . . . . 74.22 109.866 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -89.9 141.2 28.87 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.075 0.464 . . . . 75.44 111.39 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.485 HG22 HD13 ' A' ' 74' ' ' ILE . 61.1 t -77.3 132.68 32.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.195 0.998 . . . . 73.12 109.767 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.9 p -103.13 106.76 17.34 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.836 0.854 . . . . 74.35 109.187 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.8 mm -93.74 109.53 41.85 Favored Pre-proline 0 N--CA 1.482 1.134 0 C-N-CA 123.507 0.723 . . . . 74.32 110.333 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.16 145.58 24.56 Favored 'Trans proline' 0 C--N 1.373 1.82 0 C-N-CA 122.172 1.915 . . . . 64.12 112.589 174.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.88 115.51 3.75 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.672 0.789 . . . . 71.51 110.849 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.92 -21.89 9.37 Favored Glycine 0 N--CA 1.479 1.534 0 C-N-CA 123.251 0.453 . . . . 74.45 112.135 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -108.98 157.91 18.21 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.444 1.098 . . . . 72.01 109.497 172.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.56 143.49 37.37 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 109.267 -0.642 . . . . 73.23 109.267 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -71.09 131.38 43.52 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.762 0.825 . . . . 72.44 112.952 -173.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.0 t -101.77 -60.84 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.617 0.767 . . . . 73.24 110.382 171.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.06 -164.82 29.73 Favored Glycine 0 N--CA 1.475 1.249 0 CA-C-N 116.513 -0.312 . . . . 64.22 113.332 -173.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -147.99 141.08 24.97 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.053 0.941 . . . . 73.34 110.595 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.405 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 31.7 t70 -121.52 151.33 40.42 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.792 1.237 . . . . 54.21 110.328 -176.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.44 -68.7 3.48 Favored Glycine 0 N--CA 1.477 1.376 0 N-CA-C 113.886 0.315 . . . . 70.43 113.886 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.561 ' HA3' HG22 ' A' ' 72' ' ' VAL . . . -76.72 153.55 42.44 Favored Glycine 0 CA--C 1.536 1.403 0 CA-C-O 119.928 -0.373 . . . . 34.44 112.222 175.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.95 107.24 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 117.231 0.516 . . . . 73.34 110.224 -173.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.401 HG23 HG22 ' A' ' 60' ' ' VAL . 11.5 p -91.62 147.1 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 C-N-CA 123.426 0.69 . . . . 73.31 111.684 -174.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.8 p -73.2 172.65 10.72 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.718 0.807 . . . . 73.31 112.388 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.0 t -65.62 -33.64 76.38 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.74 0.816 . . . . 54.34 112.035 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.18 -18.04 35.32 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.493 0.717 . . . . 72.01 111.839 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.69 -20.96 28.75 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 115.145 0.818 . . . . 72.43 115.145 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -67.16 -42.86 83.6 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 117.505 0.652 . . . . 72.42 112.117 -174.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.1 p -106.19 121.75 44.82 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.004 0.522 . . . . 73.44 111.318 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.401 HG22 HG23 ' A' ' 53' ' ' VAL . 46.5 t -112.55 114.04 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.123 0.969 . . . . 74.33 109.762 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.1 m -82.99 112.12 19.47 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.438 0.637 . . . . 51.23 110.485 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 mt -93.12 123.51 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 C-N-CA 124.469 1.108 . . . . 73.31 109.986 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.1 m -122.62 111.06 16.31 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 109.597 -0.52 . . . . 75.24 109.597 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 53.9 m-85 -58.43 156.76 9.81 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.845 1.258 . . . . 74.14 112.349 -174.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.66 152.51 30.91 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 112.281 0.474 . . . . 73.13 112.281 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.65 -24.79 67.93 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.857 0.863 . . . . 72.24 111.369 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -107.53 107.75 18.74 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.119 0.967 . . . . 73.22 108.693 168.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.548 ' HB2' HD21 ' A' ' 71' ' ' ASN . 5.2 p-10 -70.5 91.98 0.81 Allowed 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 122.114 0.959 . . . . 55.14 113.505 -168.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 t -125.96 12.59 7.82 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.526 1.131 . . . . 65.31 109.536 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -105.98 -4.66 20.3 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.2 1.4 . . . . 75.13 112.419 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.548 HD21 ' HB2' ' A' ' 68' ' ' ASP . 36.4 m-80 -66.27 132.82 49.27 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.379 0.671 . . . . 75.35 110.525 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.561 HG22 ' HA3' ' A' ' 51' ' ' GLY . 64.0 t -99.57 119.32 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.316 0.647 . . . . 73.22 110.887 -171.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 87.9 t -111.37 99.94 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.717 0.807 . . . . 62.02 108.969 175.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 37' ' ' VAL . 68.6 mt -85.53 115.34 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.846 0.458 . . . . 53.32 110.149 -175.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -85.43 131.23 34.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.653 0.781 . . . . 74.33 111.351 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.449 HD11 ' HD2' ' A' ' 9' ' ' TYR . 86.5 mt -133.89 148.62 51.27 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.68 1.192 . . . . 74.44 110.732 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -112.95 172.41 6.95 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.591 0.757 . . . . 72.14 109.487 167.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -85.59 129.62 34.78 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.915 -0.772 . . . . 75.53 108.915 165.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.28 -115.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.698 -0.501 . . . . 61.41 112.471 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 N--CA 1.489 1.481 0 C-N-CA 124.145 0.978 . . . . 54.14 111.847 -179.01 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 109.304 -0.628 . . . . 71.34 109.304 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -87.35 140.02 29.97 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.199 -0.455 . . . . 75.43 111.54 -160.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -116.7 131.66 56.89 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.12 0.568 . . . . 62.42 111.081 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.77 130.37 56.82 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.981 0.912 . . . . 64.3 109.345 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.4 t -111.85 139.59 47.21 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.291 0.567 . . . . 72.02 111.725 -173.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.66 109.76 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 123.933 0.893 . . . . 61.24 109.233 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -101.67 112.33 24.88 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.257 1.023 . . . . 73.4 110.644 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -82.86 120.54 25.78 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.637 0.375 . . . . 71.33 110.158 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.8 m -123.06 150.95 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-O 121.859 0.837 . . . . 75.51 111.358 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -93.41 97.84 10.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.793 1.237 . . . . 71.4 108.054 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.41 -27.91 68.88 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.33 1.052 . . . . 70.32 112.624 -173.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -86.8 -8.71 57.09 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.417 0.687 . . . . 70.15 112.774 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -114.49 39.68 2.74 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.56 0.695 . . . . 74.24 109.949 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.08 23.81 68.16 Favored Glycine 0 N--CA 1.483 1.777 0 N-CA-C 114.951 0.74 . . . . 74.14 114.951 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.02 41.73 26.59 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-O 120.155 -0.247 . . . . 71.51 113.458 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.44 133.84 39.73 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.298 0.639 . . . . 72.4 112.009 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -60.5 124.24 19.77 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.043 0.449 . . . . 70.2 112.033 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.69 106.4 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 124.451 1.1 . . . . 72.34 109.626 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.46 -109.49 2.86 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 116.694 -0.23 . . . . 44.14 113.438 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -137.69 165.33 26.65 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.788 0.835 . . . . 73.35 111.485 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.6 mt -95.39 140.96 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.945 0.898 . . . . 44.2 111.355 -174.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -103.18 101.77 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.302 0.641 . . . . 72.14 110.621 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.4 m -99.64 134.43 42.54 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 122.897 0.479 . . . . 65.41 110.59 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.3 m -123.54 151.24 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 123.739 0.816 . . . . 63.12 110.794 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.2 p -112.36 155.99 23.22 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.454 0.702 . . . . 51.41 111.709 -177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.96 -126.67 1.1 Allowed Glycine 0 C--N 1.343 0.962 0 CA-C-N 115.625 -0.716 . . . . 74.01 111.754 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -159.16 150.86 20.56 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 117.382 0.591 . . . . 71.44 109.663 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.482 HG22 ' HA ' ' A' ' 65' ' ' ALA . 49.6 p -51.16 -39.68 56.9 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 114.232 1.197 . . . . 74.32 114.232 -176.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.62 -29.51 64.75 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.515 0.726 . . . . 71.21 111.548 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.89 157.22 19.57 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.016 0.926 . . . . 75.11 112.106 -176.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.6 p -145.7 159.02 43.77 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 115.385 -0.825 . . . . 74.24 111.081 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -150.26 162.0 41.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.878 0.871 . . . . 61.01 111.183 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.2 p -104.04 125.83 50.69 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.448 0.699 . . . . 74.04 110.053 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -113.22 128.29 56.43 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.064 0.946 . . . . 62.01 109.925 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 m -84.24 131.17 34.77 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 110.307 -0.257 . . . . 72.32 110.307 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.24 134.76 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.849 0.86 . . . . 72.25 110.893 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m -110.29 115.99 30.67 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.907 0.883 . . . . 71.44 110.279 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.7 mm -99.95 114.96 65.91 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 123.315 0.646 . . . . 72.21 110.045 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.32 159.72 50.97 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.254 1.969 . . . . 73.33 113.186 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.84 138.77 58.58 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.316 0.646 . . . . 74.13 111.316 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.85 -0.04 89.87 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 115.881 -0.6 . . . . 63.41 113.51 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -113.49 160.61 18.29 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.818 0.847 . . . . 73.54 111.457 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HB2' ' HB2' ' A' ' 77' ' ' LYS . 37.8 mt-10 -127.57 157.09 41.11 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.839 1.256 . . . . 74.13 109.266 176.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -82.63 130.2 35.08 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 118.097 0.408 . . . . 72.11 111.274 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.538 HG22 ' HG3' ' A' ' 77' ' ' LYS . 69.9 t -99.21 -65.16 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 123.409 0.683 . . . . 73.44 110.592 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.78 168.22 40.06 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 115.837 -0.62 . . . . 61.25 113.554 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.503 HG23 HG13 ' A' ' 72' ' ' VAL . 22.2 m -107.88 132.87 53.0 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.85 0.86 . . . . 60.1 110.895 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 38.8 t70 -115.3 150.16 36.7 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.96 0.904 . . . . 70.42 110.359 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.77 -72.2 2.87 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 122.606 0.146 . . . . 72.35 113.277 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.689 ' HA3' HG22 ' A' ' 72' ' ' VAL . . . -84.22 -173.11 49.61 Favored Glycine 0 N--CA 1.475 1.268 0 N-CA-C 114.332 0.493 . . . . 34.1 114.332 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.493 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 30.8 t -94.57 138.08 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.462 0.705 . . . . 71.51 110.353 -177.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -113.41 147.79 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.25 0.62 . . . . 72.24 111.741 -177.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 t -66.51 165.3 14.77 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.881 0.872 . . . . 71.2 112.042 171.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.8 t -61.57 -32.43 72.52 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.886 0.874 . . . . 53.44 111.847 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.45 -19.16 33.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.604 0.762 . . . . 74.24 112.455 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.35 14.4 71.68 Favored Glycine 0 N--CA 1.486 1.986 0 CA-C-O 121.364 0.425 . . . . 41.13 113.173 -165.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -84.84 -43.13 14.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.155 1.382 . . . . 71.25 111.157 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.0 p -123.43 164.72 18.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.197 0.999 . . . . 74.54 110.149 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.0 m -133.56 133.55 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.448 1.099 . . . . 75.45 109.972 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.493 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 50.5 m -78.5 104.41 9.08 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.228 0.611 . . . . 62.31 110.309 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.0 mm -85.84 105.0 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.303 0.641 . . . . 61.23 109.578 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.8 m -117.23 120.59 38.72 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.091 -1.078 . . . . 75.22 108.091 173.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -70.06 148.15 49.15 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.41 0.684 . . . . 73.13 111.264 -171.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.482 ' HA ' HG22 ' A' ' 29' ' ' THR . . . -153.39 155.28 36.09 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.53 0.732 . . . . 64.32 110.446 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.99 32.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 122.81 0.444 . . . . 72.25 111.251 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -132.36 -161.03 1.1 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.421 1.088 . . . . 65.32 110.834 -168.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -105.44 -1.07 25.41 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.116 0.966 . . . . 73.14 111.048 171.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.2 t -77.37 -19.93 55.51 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.316 1.046 . . . . 71.04 112.389 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.86 -21.88 31.85 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.104 0.962 . . . . 74.52 110.925 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -68.52 124.27 23.13 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.822 0.849 . . . . 64.41 109.711 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.689 HG22 ' HA3' ' A' ' 51' ' ' GLY . 96.6 t -111.03 118.82 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.004 0.922 . . . . 64.21 110.17 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 47.8 t -108.09 110.14 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.457 0.703 . . . . 72.0 109.863 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 43.7 mm -89.33 115.22 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.531 0.733 . . . . 44.31 109.962 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -91.66 134.87 34.32 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.265 0.626 . . . . 72.14 109.981 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.5 mt -128.17 138.51 52.52 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.712 0.634 . . . . 51.34 112.712 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.538 ' HG3' HG22 ' A' ' 46' ' ' VAL . 6.7 mtpm? -93.14 172.24 8.43 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.617 0.767 . . . . 73.22 111.006 173.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -100.08 142.78 31.09 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.289 -0.869 . . . . 75.24 110.775 166.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.19 -162.68 29.57 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 111.109 -0.796 . . . . 72.52 111.109 167.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 N--CA 1.484 1.227 0 CA-C-N 117.246 0.523 . . . . 74.31 110.48 173.169 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 108.561 -0.903 . . . . 74.51 108.561 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -84.17 139.88 32.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.365 0.266 . . . . 72.11 111.39 -164.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -116.09 168.2 10.31 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.639 0.607 . . . . 71.41 112.639 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.556 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -148.05 132.36 17.5 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.129 -0.941 . . . . 62.34 110.872 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 71' ' ' ASN . 75.4 p -97.76 135.75 39.09 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.739 0.816 . . . . 73.34 110.692 -175.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' A' ' 23' ' ' VAL . 13.0 mt -123.51 118.84 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.115 0.566 . . . . 70.41 109.805 -178.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.4 m -117.39 120.03 36.92 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.32 0.648 . . . . 71.42 111.586 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -84.66 134.26 34.37 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.345 0.658 . . . . 53.44 110.025 171.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.35 136.03 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.872 0.869 . . . . 75.34 110.942 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -77.37 100.47 5.96 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.974 0.51 . . . . 72.34 110.165 168.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -66.43 -20.19 65.99 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 121.129 0.49 . . . . 55.22 110.374 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -65.2 -28.18 69.2 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 124.828 1.251 . . . . 73.11 111.578 172.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.53 50.38 1.19 Allowed 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 123.456 0.702 . . . . 50.11 110.367 178.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.55 26.65 46.17 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 116.19 1.236 . . . . 40.04 116.19 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.21 39.23 7.44 Favored Glycine 0 N--CA 1.477 1.382 0 C-N-CA 123.091 0.377 . . . . 64.01 113.317 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.01 114.11 9.76 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.532 0.733 . . . . 41.05 111.485 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -60.12 123.08 16.04 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.104 0.561 . . . . 54.11 111.767 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 76' ' ' LEU . 14.4 t -92.29 104.64 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.451 0.7 . . . . 75.22 109.514 -176.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.89 -94.63 0.79 Allowed Glycine 0 CA--C 1.538 1.506 0 CA-C-N 116.309 -0.405 . . . . 75.33 113.329 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -155.68 -178.54 7.36 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.522 0.677 . . . . 73.54 112.797 -170.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.9 mt -105.18 134.16 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 C-N-CA 124.252 1.021 . . . . 74.12 109.937 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG23 ' HB ' ' A' ' 7' ' ' ILE . 6.8 m -109.96 116.63 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.427 0.691 . . . . 75.44 110.932 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -103.78 108.85 20.34 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.168 0.587 . . . . 70.11 110.695 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 m -97.56 143.26 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 123.039 0.536 . . . . 74.51 110.952 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -113.18 150.97 31.52 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.564 0.697 . . . . 64.11 112.83 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.35 -110.42 0.27 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 115.412 -0.813 . . . . 53.24 111.575 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -161.42 154.68 21.24 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 117.668 0.734 . . . . 75.32 111.455 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.0 p -52.44 -38.45 59.26 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.468 0.914 . . . . 52.24 113.468 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -86.88 16.22 5.1 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 123.981 0.912 . . . . 60.11 111.624 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -134.84 148.97 50.28 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.285 1.034 . . . . 73.24 110.334 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.0 p -133.33 141.38 47.92 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.537 0.735 . . . . 45.23 111.073 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 t -114.3 161.11 18.3 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.755 0.822 . . . . 65.02 111.242 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.5 p -110.53 105.76 14.82 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.548 0.739 . . . . 72.14 109.697 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -97.23 129.64 44.54 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.203 1.001 . . . . 63.53 110.031 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.7 m -84.59 136.7 33.67 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.258 0.481 . . . . 73.32 111.026 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.2 t -75.74 130.97 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.056 0 C-N-CA 123.652 0.781 . . . . 74.1 110.266 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.9 p -103.39 120.85 41.59 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.04 0.936 . . . . 65.34 111.085 -177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 45' ' ' TYR . 49.5 mm -95.38 111.42 55.17 Favored Pre-proline 0 CA--C 1.56 1.36 0 C-N-CA 124.009 0.924 . . . . 64.05 111.074 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.613 ' HD2' ' HB2' ' A' ' 43' ' ' TYR . 4.6 Cg_exo -79.29 172.01 15.27 Favored 'Trans proline' 0 CA--C 1.566 2.102 0 C-N-CA 123.359 2.706 . . . . 64.31 113.326 175.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.38 105.97 2.77 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.843 0.857 . . . . 73.12 112.778 -174.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.82 11.92 51.78 Favored Glycine 0 N--CA 1.483 1.778 0 CA-C-N 116.211 -0.45 . . . . 45.34 114.053 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.613 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 45.0 m-85 -120.74 152.14 38.66 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 124.245 1.018 . . . . 62.33 109.906 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -137.44 140.18 41.1 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 123.417 0.687 . . . . 61.02 111.403 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.525 ' HB2' HD11 ' A' ' 39' ' ' ILE . 78.0 t80 -66.66 123.43 20.07 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.214 0.606 . . . . 75.22 112.181 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.4 t -99.01 -58.11 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.531 0.733 . . . . 75.11 111.229 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -170.2 -176.53 39.82 Favored Glycine 0 N--CA 1.476 1.359 0 CA-C-N 116.704 -0.225 . . . . 72.31 113.435 -173.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.1 m -146.65 137.24 23.89 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.898 0.879 . . . . 70.44 111.032 -177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -121.97 152.6 39.54 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.838 1.255 . . . . 72.04 110.139 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.14 -70.71 1.05 Allowed Glycine 0 N--CA 1.476 1.316 0 C-N-CA 122.533 0.111 . . . . 43.52 113.305 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.89 -171.05 47.38 Favored Glycine 0 N--CA 1.478 1.474 0 N-CA-C 113.907 0.323 . . . . 71.44 113.907 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -101.58 117.02 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 123.35 0.66 . . . . 62.42 110.081 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.1 p -87.22 140.07 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-O 120.907 0.384 . . . . 72.34 111.235 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -72.93 167.82 20.23 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.565 0.746 . . . . 72.12 111.986 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.0 p -62.51 -29.72 70.75 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.416 1.087 . . . . 72.34 113.14 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -88.46 -18.35 28.43 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.56 0.578 . . . . 70.45 112.56 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.25 -2.2 57.66 Favored Glycine 0 CA--C 1.545 1.924 0 N-CA-C 114.335 0.494 . . . . 70.55 114.335 -172.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -71.87 -35.65 69.86 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.143 0.977 . . . . 74.12 111.899 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.7 p -123.71 147.87 47.08 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.211 1.004 . . . . 51.22 110.657 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.3 m -125.28 117.49 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 C-N-CA 125.152 1.381 . . . . 71.32 109.561 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.1 m -71.0 113.16 7.75 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.441 0.696 . . . . 62.14 110.414 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 mm -98.79 116.86 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.686 0.795 . . . . 50.44 109.777 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.1 m -103.12 127.73 50.29 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 108.732 -0.84 . . . . 52.44 108.732 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.69 138.03 46.36 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.643 0.777 . . . . 72.31 110.929 -172.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.72 137.62 31.8 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 111.937 0.347 . . . . 72.12 111.937 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.19 -22.96 61.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.228 0.611 . . . . 64.12 110.944 169.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -84.5 173.5 10.79 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.14 0.976 . . . . 74.1 110.649 176.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.14 29.18 0.22 Allowed 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 123.726 0.81 . . . . 62.35 113.095 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.2 t -95.4 -7.83 37.32 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.895 0.878 . . . . 35.03 111.31 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.556 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 7.8 p-10 -75.86 -30.54 58.95 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.088 0.955 . . . . 54.42 111.996 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.8 p30 -73.62 96.58 2.49 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.79 0.805 . . . . 64.33 111.622 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.5 t -93.09 118.98 40.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 124.45 1.1 . . . . 51.34 109.738 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.6 t -99.17 107.25 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.121 0.568 . . . . 72.15 110.55 -175.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.8 mt -91.11 136.18 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.36 0.664 . . . . 54.5 109.285 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -109.27 142.85 39.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.11 0.964 . . . . 74.35 111.334 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 19' ' ' VAL . 95.6 mt -134.68 160.16 39.01 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.614 1.166 . . . . 74.55 110.808 -178.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -138.22 148.28 44.63 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.763 0.425 . . . . 74.21 111.074 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -78.08 120.47 22.95 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.775 -0.454 . . . . 62.21 109.775 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.17 -111.3 0.51 Allowed Glycine 0 C--N 1.347 1.187 0 CA-C-N 116.739 -0.21 . . . . 43.12 112.875 -175.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 108.03 -1.1 . . . . 74.41 108.03 169.795 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 CA--C 1.555 1.141 0 N-CA-C 109.752 -0.462 . . . . 64.12 109.752 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -112.53 170.64 8.03 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.556 0.742 . . . . 75.31 112.17 -175.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -112.02 131.93 55.11 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.884 0.874 . . . . 73.15 111.944 -169.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.68 119.28 37.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.703 0.801 . . . . 55.54 109.462 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.539 ' OG1' HG23 ' A' ' 22' ' ' ILE . 9.6 t -98.23 139.75 33.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.373 0.606 . . . . 62.42 111.788 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.579 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mp -105.06 112.7 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 107.808 -1.182 . . . . 75.13 107.808 174.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -125.18 108.18 11.5 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.521 0.729 . . . . 72.24 109.939 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 16.0 m-85 -74.73 140.4 44.09 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.14 -0.689 . . . . 72.02 109.14 172.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.3 m -144.21 145.71 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 124.265 1.026 . . . . 74.0 109.823 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -102.57 130.3 49.39 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.83 -0.544 . . . . 74.22 110.852 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.44 -29.01 68.74 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.301 1.04 . . . . 72.15 112.057 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.56 -37.16 57.32 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.533 1.133 . . . . 62.13 113.124 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.26 23.83 13.23 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 121.232 0.539 . . . . 71.32 110.279 -173.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.63 33.91 63.34 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 115.667 -0.697 . . . . 74.32 113.928 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.5 54.03 3.08 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-O 120.256 -0.191 . . . . 61.11 113.546 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.85 135.69 33.24 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 122.953 0.501 . . . . 53.54 110.979 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -64.05 128.19 34.73 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 123.375 0.67 . . . . 73.54 111.983 -174.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 49.9 t -109.77 123.15 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 124.76 1.224 . . . . 72.4 109.893 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.08 -116.02 4.23 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-O 120.042 -0.31 . . . . 73.13 112.922 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -147.17 166.34 27.27 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.536 0.684 . . . . 65.01 112.61 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.539 HG23 ' OG1' ' A' ' 6' ' ' THR . 2.4 mp -88.07 116.0 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 124.302 1.041 . . . . 72.11 109.66 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 60.2 t -105.97 101.92 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.289 0.635 . . . . 71.43 110.699 -173.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 p -92.37 125.11 36.88 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.763 -0.586 . . . . 72.11 111.82 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.9 m -108.91 151.07 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.228 1.011 . . . . 70.1 109.136 168.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.1 m -129.8 128.61 42.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 122.103 -0.373 . . . . 71.02 110.811 -175.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.55 -157.36 8.8 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 111.963 -0.455 . . . . 64.23 111.963 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 31' ' ' ASP . 14.3 mmmm -112.12 154.91 24.75 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.997 0.519 . . . . 54.12 110.7 -176.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.5 p -59.3 -31.5 69.2 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.453 0.538 . . . . 62.11 112.453 171.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.76 -32.43 69.56 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.955 0.902 . . . . 72.2 111.361 172.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.431 ' HB3' ' H ' ' A' ' 28' ' ' LYS . 34.0 t70 -90.28 153.36 20.52 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.222 1.009 . . . . 63.14 112.003 -174.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.9 p -129.73 139.51 51.3 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.361 0.664 . . . . 44.0 110.481 172.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.432 HG23 ' HB ' ' A' ' 62' ' ' ILE . 9.8 t -116.73 161.81 18.66 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.371 1.068 . . . . 55.24 111.165 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.2 p -107.29 149.68 27.52 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.9 0.88 . . . . 62.42 111.119 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.459 ' CE2' HG21 ' A' ' 7' ' ' ILE . 77.8 t80 -142.0 126.31 17.6 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.021 0.529 . . . . 74.43 110.85 173.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.4 m -87.94 116.21 25.95 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.794 0.438 . . . . 71.43 110.144 173.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.29 125.25 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.599 0.76 . . . . 74.22 110.478 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.9 m -108.23 108.54 19.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.058 0.943 . . . . 54.33 109.929 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.482 HD12 HD21 ' A' ' 76' ' ' LEU . 37.6 mm -92.6 111.08 49.23 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 123.248 0.619 . . . . 62.3 110.386 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.31 146.64 57.32 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.207 1.938 . . . . 64.05 112.664 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.58 135.01 56.5 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 121.304 0.574 . . . . 73.32 111.829 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.6 -24.53 30.56 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 115.188 -0.914 . . . . 55.01 111.756 -168.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 63.2 m-85 -103.93 144.48 31.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.241 0.616 . . . . 71.31 111.389 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 77' ' ' LYS . 15.8 mm-40 -112.23 121.02 43.74 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.761 1.225 . . . . 71.33 110.155 -175.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -67.05 114.07 5.54 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 117.987 0.358 . . . . 74.43 111.806 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -96.68 -49.88 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.539 0.735 . . . . 73.41 110.602 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.43 174.27 46.09 Favored Glycine 0 N--CA 1.473 1.111 0 CA-C-N 115.771 -0.65 . . . . 74.4 112.284 -178.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.2 m -143.9 142.3 30.71 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 117.256 0.528 . . . . 72.52 111.017 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -112.09 154.65 25.1 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.575 1.15 . . . . 74.33 110.397 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.68 -85.82 0.41 Allowed Glycine 0 N--CA 1.477 1.405 0 CA-C-O 120.237 -0.202 . . . . 72.03 113.109 172.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.2 -160.54 36.62 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 114.382 0.513 . . . . 71.44 114.382 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.414 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 88.2 t -93.0 106.23 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.674 0.79 . . . . 63.25 109.355 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.3 t -90.34 143.28 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.668 0.387 . . . . 73.45 111.495 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -67.83 162.11 24.78 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.189 0.996 . . . . 53.15 111.876 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 p -55.39 -39.41 70.12 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.063 0.945 . . . . 73.15 112.011 176.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -94.57 -2.3 51.77 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.679 0.792 . . . . 64.44 111.8 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.52 30.32 76.28 Favored Glycine 0 C--N 1.357 1.72 0 C-N-CA 122.673 0.177 . . . . 54.03 113.409 -175.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -88.98 -30.3 18.87 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.948 0.899 . . . . 72.54 112.217 -177.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -134.85 149.83 50.39 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.694 0.797 . . . . 72.12 110.524 -177.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.8 t -134.98 121.33 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.964 0.906 . . . . 55.52 109.797 175.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.414 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 20.3 m -81.84 103.87 11.81 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 109.229 -0.656 . . . . 55.33 109.229 173.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.432 ' HB ' HG23 ' A' ' 33' ' ' THR . 52.7 mt -90.49 106.72 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 124.372 1.069 . . . . 74.14 110.328 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 m -107.19 125.61 51.33 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.243 -0.651 . . . . 51.41 109.243 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.513 ' HA ' ' HB3' ' A' ' 70' ' ' ASP . 81.4 m-85 -71.8 148.01 46.68 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.69 0.626 . . . . 73.31 112.69 -170.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.82 154.79 43.77 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.049 0.939 . . . . 73.54 110.903 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.63 70.08 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.289 0.636 . . . . 73.33 111.756 174.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -100.09 173.94 6.4 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.018 0.927 . . . . 74.4 110.078 173.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -79.63 73.85 6.32 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.426 0.631 . . . . 52.51 111.03 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.7 m -112.67 -14.51 13.14 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.198 0.999 . . . . 62.52 110.733 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' A' ' 64' ' ' PHE . 1.4 p-10 -95.45 -27.29 15.48 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.805 1.242 . . . . 62.43 111.946 -178.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -69.93 114.13 7.82 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.411 0.684 . . . . 75.34 110.837 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.452 ' HB ' HG13 ' A' ' 7' ' ' ILE . 72.3 t -94.58 121.85 45.53 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 124.783 1.233 . . . . 75.45 111.517 -170.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.97 110.88 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.295 0.638 . . . . 75.21 110.608 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.5 mp -91.25 133.46 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 109.449 -0.574 . . . . 73.52 109.449 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -108.67 133.19 53.1 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.036 0.934 . . . . 74.55 110.297 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.482 HD21 HD12 ' A' ' 39' ' ' ILE . 94.1 mt -128.3 161.94 28.22 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.809 0.844 . . . . 72.13 111.997 -173.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.608 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 48.8 mmtt -120.18 161.05 21.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.686 0.794 . . . . 70.21 110.123 170.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -97.29 138.54 34.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.478 0.711 . . . . 73.32 111.18 175.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 42.15 -106.06 0.07 OUTLIER Glycine 0 CA--C 1.541 1.671 0 N-CA-C 116.61 1.404 . . . . 55.52 116.61 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.556 1.182 0 C-N-CA 124.46 1.104 . . . . 74.03 111.805 -171.463 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 CA--C 1.552 1.055 0 CA-C-O 120.915 0.388 . . . . 73.4 111.225 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -110.99 143.2 42.04 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.606 0.762 . . . . 72.24 111.423 -172.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -97.27 162.13 13.48 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.206 0.602 . . . . 64.33 110.502 173.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.98 125.17 41.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.933 0.893 . . . . 62.42 109.308 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.8 p -97.98 128.79 44.76 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.545 0.738 . . . . 73.03 111.49 -167.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.577 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 26.7 mt -120.32 132.11 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 124.014 0.925 . . . . 72.41 109.411 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.1 m -143.12 121.28 12.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.708 -0.62 . . . . 75.12 111.462 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.408 ' HD2' HD11 ' A' ' 76' ' ' LEU . 28.9 m-85 -79.93 129.36 34.43 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.778 0.831 . . . . 63.24 109.585 172.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 26.8 m -120.22 141.69 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 112.82 0.674 . . . . 74.01 112.82 -174.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 23.7 t0 -90.7 94.25 9.6 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.366 1.066 . . . . 73.32 109.316 175.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.19 -14.92 62.66 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.604 0.965 . . . . 65.24 113.604 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.47 -13.55 58.05 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.302 0.641 . . . . 75.42 110.844 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -118.36 22.66 12.0 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.992 0.917 . . . . 65.42 110.314 -177.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.84 40.43 64.09 Favored Glycine 0 C--N 1.35 1.346 0 CA-C-N 115.936 -0.574 . . . . 60.0 114.101 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.92 48.69 39.44 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 113.724 0.25 . . . . 63.24 113.724 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -74.7 167.73 21.22 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.096 0.558 . . . . 73.51 112.099 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.38 120.38 25.81 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.907 -0.496 . . . . 75.33 111.22 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.1 t -101.52 107.95 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.715 0.806 . . . . 74.42 109.082 173.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.86 -121.04 5.3 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 120.103 -0.276 . . . . 54.11 112.812 -176.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -147.54 162.19 39.59 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.458 0.703 . . . . 71.15 111.299 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.34 132.04 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.761 0.825 . . . . 44.14 110.768 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.577 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 58.7 t -106.07 112.77 40.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 124.457 1.103 . . . . 61.31 110.084 -177.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.5 p -104.97 130.92 53.06 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.812 0.445 . . . . 72.2 111.198 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.7 m -112.8 138.77 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.683 0.793 . . . . 72.41 109.387 172.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.2 m -106.23 141.65 37.23 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 123.184 0.594 . . . . 64.5 111.999 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.22 -134.1 1.81 Allowed Glycine 0 CA--C 1.533 1.182 0 N-CA-C 111.526 -0.63 . . . . 25.34 111.526 176.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -143.62 156.1 44.46 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 117.644 0.722 . . . . 72.44 110.071 177.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 77.8 p -50.17 -30.03 10.52 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 114.633 1.345 . . . . 72.33 114.633 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.39 -20.02 48.67 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 124.122 0.969 . . . . 73.34 112.361 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -102.84 157.6 16.85 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.519 0.728 . . . . 75.21 112.352 -172.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 m -125.36 154.52 41.72 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.175 0.99 . . . . 55.41 110.644 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 t -138.83 162.23 35.29 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 123.848 0.859 . . . . 63.32 110.557 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -116.09 144.14 44.53 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 121.308 0.575 . . . . 73.3 111.455 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -143.21 139.09 30.12 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.108 0.963 . . . . 60.31 110.269 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.7 m -100.12 138.88 36.59 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.162 0.585 . . . . 73.41 110.92 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.42 HG13 HG21 ' A' ' 74' ' ' ILE . 95.8 t -76.18 131.13 35.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 124.392 1.077 . . . . 55.14 110.63 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.7 p -107.49 112.19 24.84 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.118 0.967 . . . . 63.02 109.942 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 43.1 mm -90.07 113.27 56.57 Favored Pre-proline 0 N--CA 1.49 1.552 0 C-N-CA 123.422 0.689 . . . . 63.2 111.063 -175.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 39' ' ' ILE . 16.2 Cg_exo -69.76 171.21 14.88 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.52 2.813 . . . . 54.04 114.679 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.72 120.82 10.81 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.171 0.988 . . . . 70.21 112.381 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.76 6.58 89.3 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 116.191 -0.459 . . . . 71.04 114.094 177.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -104.29 150.16 24.69 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 117.549 0.675 . . . . 73.44 111.284 176.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -122.36 140.48 52.63 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.497 1.119 . . . . 74.23 109.884 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -67.68 122.01 17.16 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.519 0.728 . . . . 65.55 111.578 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.0 t -92.5 -52.97 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.932 0.493 . . . . 71.34 109.937 173.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.47 156.01 9.62 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.088 -0.506 . . . . 62.53 113.66 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.443 ' HB ' ' HB ' ' A' ' 53' ' ' VAL . 45.5 m -92.65 131.77 37.46 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.223 0.609 . . . . 72.24 111.306 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.483 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 20.9 t0 -109.91 152.49 25.75 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.602 1.161 . . . . 74.31 109.004 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.72 -73.66 2.61 Favored Glycine 0 N--CA 1.477 1.371 0 N-CA-C 113.739 0.256 . . . . 72.42 113.739 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.91 178.65 48.41 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 116.661 0.23 . . . . 74.34 113.579 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 46.3 t -88.1 112.5 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 122.972 0.509 . . . . 75.34 110.087 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.443 ' HB ' ' HB ' ' A' ' 48' ' ' THR . 7.5 p -95.51 140.84 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 122.784 0.434 . . . . 70.45 111.57 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -80.18 174.12 11.92 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.191 0.597 . . . . 62.32 111.971 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 t -61.65 -39.3 90.87 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 113.273 0.842 . . . . 74.54 113.273 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.82 -9.77 58.54 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 122.965 0.506 . . . . 64.23 112.178 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.37 -36.46 3.57 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 115.256 0.862 . . . . 74.03 115.256 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.26 -43.08 87.46 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.058 0.762 . . . . 61.32 113.058 -172.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.6 p -94.94 128.36 41.67 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 122.034 -0.416 . . . . 60.11 110.976 -176.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.5 t -126.91 125.46 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.736 0.814 . . . . 51.55 111.075 -175.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.44 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 48.0 m -82.7 107.02 15.03 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.49 0.716 . . . . 73.0 110.013 171.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.8 mt -103.71 116.83 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.134 0.974 . . . . 73.41 109.808 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 56.3 m -110.3 120.3 41.99 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.97 0.508 . . . . 73.24 109.698 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 29' ' ' THR . 23.9 m-85 -55.26 125.17 19.57 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.289 0.636 . . . . 74.05 109.934 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.25 152.43 46.12 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.872 0.693 . . . . 52.32 112.872 -171.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.03 -30.95 61.21 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 115.504 -0.771 . . . . 74.35 110.282 168.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.48 107.48 14.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.826 0.85 . . . . 71.11 110.702 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 61.18 18.96 9.61 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.98 1.312 . . . . 65.35 113.024 170.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m 60.12 11.89 2.96 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.766 1.226 . . . . 62.22 113.274 -175.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t70 59.49 67.48 0.89 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.455 1.102 . . . . 63.15 110.038 -167.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -70.25 105.55 3.01 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.221 -0.9 . . . . 73.41 111.491 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.9 t -94.97 117.94 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 124.107 0.963 . . . . 73.01 109.672 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.483 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 61.8 t -114.34 110.19 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.324 0.65 . . . . 74.24 110.07 -176.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.42 HG21 HG13 ' A' ' 37' ' ' VAL . 30.5 mm -85.28 110.66 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.252 -0.647 . . . . 70.11 109.252 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -84.58 128.39 34.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.83 0.452 . . . . 75.14 110.363 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.408 HD11 ' HD2' ' A' ' 9' ' ' TYR . 83.3 mt -131.19 138.76 49.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.672 0.789 . . . . 65.24 110.951 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -110.02 172.56 6.79 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.917 0.887 . . . . 74.41 109.726 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -94.38 128.35 40.85 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.945 -0.472 . . . . 53.34 110.693 172.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.95 -67.82 1.51 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.34 -1.504 . . . . 60.42 109.34 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 CA--C 1.56 1.329 0 N-CA-C 108.055 -1.091 . . . . 74.24 108.055 163.324 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 CA--C 1.547 0.855 0 N-CA-C 110.319 -0.252 . . . . 72.54 110.319 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -91.73 145.53 24.5 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.249 0.62 . . . . 52.35 110.678 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -114.16 169.08 9.28 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.559 0.744 . . . . 74.33 112.163 -176.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.81 124.97 8.69 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.465 1.106 . . . . 50.14 109.458 169.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.0 p -104.79 129.47 53.06 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.313 0.645 . . . . 73.34 112.097 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.527 HG13 ' HB ' ' A' ' 72' ' ' VAL . 3.9 mp -109.22 104.73 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.574 0.75 . . . . 64.55 109.332 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.5 m -103.48 121.0 41.93 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.457 0.703 . . . . 75.4 110.484 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -84.23 134.75 34.53 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.005 0.522 . . . . 72.21 109.88 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.25 160.11 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 124.289 1.036 . . . . 72.43 110.313 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.88 125.26 43.69 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 121.44 0.638 . . . . 71.12 111.013 173.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -66.73 -25.69 66.64 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 124.872 1.269 . . . . 62.23 113.993 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -74.66 -7.06 52.06 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 112.558 0.577 . . . . 74.22 112.558 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.518 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 6.0 mmpt? -124.98 29.53 6.12 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.934 0.894 . . . . 54.25 110.331 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.59 28.67 70.65 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-N 115.865 -0.607 . . . . 72.33 113.864 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.88 43.02 15.22 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 123.434 0.137 . . . . 62.14 112.861 -172.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.57 132.3 37.1 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.599 0.36 . . . . 51.14 110.559 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.89 131.98 45.98 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.371 0.668 . . . . 74.52 112.484 -171.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -99.67 104.87 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 N-CA-C 107.903 -1.147 . . . . 72.31 107.903 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.43 -137.85 23.31 Favored Glycine 0 CA--C 1.541 1.685 0 CA-C-O 120.258 -0.19 . . . . 72.42 112.886 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -114.58 -179.23 3.57 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.491 0.716 . . . . 54.52 111.542 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.436 HD12 ' H ' ' A' ' 22' ' ' ILE . 3.6 mp -86.74 140.85 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.435 0.694 . . . . 75.23 109.204 173.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -108.12 100.72 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 122.901 0.48 . . . . 54.51 110.244 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.1 m -89.47 118.95 29.5 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 122.061 -0.399 . . . . 74.11 110.409 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -105.21 144.88 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 123.467 0.707 . . . . 70.21 109.315 171.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -132.87 156.65 46.81 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 113.011 0.745 . . . . 44.14 113.011 -167.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 157.12 -116.56 0.72 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 115.623 -0.717 . . . . 31.24 112.231 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -165.39 153.41 11.28 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.274 1.03 . . . . 75.43 109.112 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -54.85 -21.34 11.07 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 114.961 1.467 . . . . 72.13 114.961 -170.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.87 -26.68 67.75 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.589 1.156 . . . . 62.44 112.126 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -102.06 138.44 39.01 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.878 0.871 . . . . 71.41 110.627 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -121.37 142.09 50.33 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.462 0.705 . . . . 73.42 110.951 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -145.17 149.46 35.01 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.51 0.724 . . . . 61.41 110.862 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.2 p -102.6 112.69 25.55 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 109.691 -0.485 . . . . 55.44 109.691 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -82.05 132.63 35.25 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.422 0.689 . . . . 71.14 109.762 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 t -76.42 114.21 14.87 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-O 121.436 0.636 . . . . 64.14 111.474 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.6 t -78.87 121.51 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.194 0.597 . . . . 61.21 110.368 175.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.1 p -97.37 114.12 25.88 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.103 0.561 . . . . 70.42 110.521 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.48 112.03 50.69 Favored Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.658 0.783 . . . . 73.24 110.197 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.24 157.51 50.01 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.627 2.218 . . . . 63.23 112.77 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -67.39 126.41 29.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.224 0.61 . . . . 62.13 111.015 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.58 -12.37 61.33 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 115.956 -0.565 . . . . 74.1 113.242 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -108.99 141.35 41.22 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.438 0.695 . . . . 73.32 110.886 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -122.46 136.38 54.88 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.788 1.235 . . . . 74.1 110.076 -175.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -66.59 113.53 4.84 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 122.765 0.426 . . . . 75.22 111.572 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.2 t -87.97 -60.6 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.449 0.699 . . . . 73.44 110.597 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.72 -176.88 42.51 Favored Glycine 0 C--N 1.342 0.875 0 CA-C-N 115.105 -0.952 . . . . 74.31 112.558 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.5 m -150.42 139.7 21.29 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.143 0.577 . . . . 74.51 110.982 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -116.84 150.27 38.66 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.713 0.805 . . . . 72.11 110.504 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.66 -150.14 22.23 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-O 119.293 -0.726 . . . . 74.45 112.831 -172.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -28.7 155.34 0.0 OUTLIER Glycine 0 N--CA 1.493 2.469 0 N-CA-C 118.088 1.995 . . . . 65.33 118.088 171.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.7 t -77.23 120.96 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.757 0.823 . . . . 75.21 111.594 -161.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.1 p -97.55 155.62 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 CA-C-O 121.16 0.505 . . . . 73.44 112.053 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -71.44 164.83 25.04 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.242 1.017 . . . . 75.11 112.67 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.7 p -61.49 -32.36 72.37 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.365 1.066 . . . . 60.34 111.944 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -96.37 -14.34 22.57 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.903 0.881 . . . . 63.44 111.398 177.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.71 35.77 62.17 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-N 116.236 -0.438 . . . . 73.45 112.574 -169.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.3 -27.6 22.78 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.933 0.493 . . . . 63.42 111.828 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.5 p -142.75 158.53 43.55 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.071 0.948 . . . . 43.41 111.336 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.576 HG11 HG11 ' A' ' 72' ' ' VAL . 11.1 m -129.02 125.25 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.412 1.085 . . . . 75.13 110.212 170.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.9 m -82.52 128.94 34.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.878 0.871 . . . . 73.55 109.66 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 49.7 mm -124.01 136.12 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 C-N-CA 124.371 1.068 . . . . 63.41 111.438 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 p -125.07 114.65 19.35 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.479 -1.304 . . . . 55.13 107.479 164.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -67.62 113.07 5.12 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.813 0.845 . . . . 75.04 110.355 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.52 146.53 32.44 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.279 0.844 . . . . 51.43 113.279 -169.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.93 1.73 16.8 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 114.848 -1.069 . . . . 51.55 111.732 168.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.96 -29.72 62.14 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.773 1.229 . . . . 61.33 111.097 171.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 70.7 9.34 6.83 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.342 1.608 . . . . 63.03 115.342 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.2 m -65.43 -65.78 0.63 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 118.798 0.727 . . . . 62.11 111.0 172.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -34.12 -7.65 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 118.296 2.702 . . . . 73.31 118.296 164.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -69.78 99.86 1.42 Allowed 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 119.677 1.126 . . . . 42.13 108.919 163.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.576 HG11 HG11 ' A' ' 60' ' ' VAL . 52.3 t -84.93 143.84 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.15 0.98 . . . . 73.23 111.628 -174.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.3 t -127.11 118.84 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 123.289 0.636 . . . . 72.52 109.584 167.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.1 mm -90.24 119.62 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.078 0.951 . . . . 75.14 109.852 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -92.44 131.91 37.21 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.714 0.806 . . . . 75.32 110.309 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.14 145.19 51.87 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.86 0.864 . . . . 73.44 110.801 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -124.56 150.91 45.39 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.75 -0.594 . . . . 73.43 110.822 173.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -74.92 137.8 41.94 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 122.705 0.402 . . . . 63.53 110.886 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.27 42.53 1.92 Allowed Glycine 0 N--CA 1.473 1.163 0 N-CA-C 111.317 -0.713 . . . . 73.41 111.317 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 123.848 0.859 . . . . 73.24 109.687 -173.295 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.739 0.304 . . . . 72.02 111.711 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -90.04 134.91 33.97 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.68 0.792 . . . . 62.41 110.512 173.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -114.13 144.84 42.5 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.579 0.752 . . . . 64.33 110.455 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -107.66 169.25 8.71 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.972 0.891 . . . . 74.34 113.354 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.09 118.82 7.53 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 113.95 -1.477 . . . . 34.02 108.15 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -105.73 123.71 48.38 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.076 0.465 . . . . 64.33 110.152 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.557 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 11.7 mt -103.5 97.83 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.689 -0.856 . . . . 72.24 108.689 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.8 m -106.23 111.29 23.83 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 110.114 -0.328 . . . . 51.12 110.114 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -73.48 124.7 26.34 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.926 -0.768 . . . . 71.13 108.926 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 m -126.92 150.86 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.861 0.864 . . . . 72.42 110.419 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -92.88 96.82 10.36 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.479 -0.563 . . . . 63.23 109.479 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.499 ' HB2' ' HB3' ' A' ' 75' ' ' HIS . 15.1 t70 -61.62 -19.33 62.14 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.89 1.276 . . . . 65.23 112.582 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' A' ' 77' ' ' LYS . 14.3 t70 -80.9 -26.69 36.64 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.598 0.759 . . . . 63.43 111.05 175.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.44 41.37 2.33 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.659 0.784 . . . . 75.04 110.689 -173.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.84 28.92 70.96 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 115.258 0.863 . . . . 65.35 115.258 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.05 23.66 56.79 Favored Glycine 0 CA--C 1.54 1.642 0 N-CA-C 114.791 0.676 . . . . 71.42 114.791 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.88 132.08 43.06 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 117.632 0.716 . . . . 72.33 111.13 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -61.03 131.24 49.99 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.862 1.06 . . . . 72.25 113.862 -166.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.64 111.42 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.247 1.019 . . . . 70.11 108.46 172.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.76 -113.28 3.76 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 120.174 -0.237 . . . . 31.24 113.278 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -150.49 171.8 16.48 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.361 0.601 . . . . 64.52 112.223 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.3 mt -81.29 132.62 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.74 0.816 . . . . 75.22 110.481 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 21.8 t -93.64 100.81 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 N-CA-C 108.814 -0.809 . . . . 64.13 108.814 174.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.6 m -86.83 106.06 17.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.834 0.454 . . . . 65.4 110.019 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.1 m -115.98 139.15 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 122.759 0.424 . . . . 62.02 109.868 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.0 p -130.03 156.36 44.62 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.351 0.66 . . . . 73.14 110.829 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.82 -140.21 4.6 Favored Glycine 0 N--CA 1.468 0.768 0 CA-C-N 115.722 -0.672 . . . . 73.4 111.823 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -124.4 155.74 38.31 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.339 0.569 . . . . 64.34 110.164 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.8 m -53.65 -30.57 43.76 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.44 0.696 . . . . 70.13 112.699 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.86 -30.5 71.56 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.427 0.691 . . . . 64.33 112.295 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -92.36 135.6 33.89 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.78 0.832 . . . . 73.44 111.89 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -119.8 138.03 53.61 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.537 0.735 . . . . 65.32 109.859 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -109.42 152.86 24.81 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.777 0.831 . . . . 71.22 111.623 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.553 HG22 HG22 ' A' ' 61' ' ' THR . 61.1 p -113.16 115.89 28.97 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.735 0.814 . . . . 52.34 109.681 173.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -115.7 125.47 52.86 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.585 0.754 . . . . 73.52 111.11 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.5 m -84.2 128.8 34.79 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.827 0.451 . . . . 72.13 110.046 173.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.3 t -74.54 131.51 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 124.135 0.974 . . . . 73.31 110.15 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.1 p -105.71 114.19 28.2 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.097 0.959 . . . . 74.05 109.67 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.0 mm -93.49 107.85 29.52 Favored Pre-proline 0 CA--C 1.557 1.224 0 C-N-CA 123.475 0.71 . . . . 63.54 110.935 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -83.74 169.83 11.76 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.894 2.396 . . . . 74.43 113.849 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.27 109.11 1.04 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 114.052 1.13 . . . . 73.43 114.052 -172.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.37 10.46 58.19 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 115.771 -0.649 . . . . 61.35 114.456 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 37.0 m-85 -119.81 140.44 50.77 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 117.542 0.671 . . . . 73.55 110.563 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -118.27 129.58 55.55 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.351 1.06 . . . . 72.41 110.824 -171.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -63.7 115.47 4.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 118.174 0.443 . . . . 72.4 111.914 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.6 t -94.14 -55.13 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.556 0.743 . . . . 62.24 110.114 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.26 172.9 44.97 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-N 115.701 -0.681 . . . . 70.35 113.708 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 76.6 m -136.02 139.93 43.49 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.032 0.933 . . . . 54.31 110.175 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -130.94 153.84 48.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.57 0.748 . . . . 62.44 110.857 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.54 -139.68 14.69 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-O 118.19 -1.339 . . . . 75.33 110.098 -166.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 3.2 116.31 0.0 OUTLIER Glycine 0 N--CA 1.494 2.512 0 N-CA-C 116.48 1.352 . . . . 70.14 116.48 153.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.18 106.08 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.352 0.661 . . . . 75.4 110.666 -168.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 60' ' ' VAL . 12.5 p -77.65 139.84 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 122.818 0.447 . . . . 62.02 111.349 -173.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -71.67 164.87 25.14 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.366 0.666 . . . . 71.24 111.744 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.9 m -64.31 -27.82 69.29 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.356 0.662 . . . . 75.21 112.511 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -82.39 -18.65 41.25 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.181 0.592 . . . . 75.23 112.327 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.4 -20.36 5.08 Favored Glycine 0 CA--C 1.544 1.85 0 N-CA-C 115.268 0.867 . . . . 74.55 115.268 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 58' ' ' LYS . 9.0 mtmp? -79.06 -16.59 56.59 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.932 0.893 . . . . 74.21 112.067 -175.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.5 p -126.69 152.66 46.47 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.553 0.741 . . . . 72.24 110.671 173.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.438 HG22 HG23 ' A' ' 53' ' ' VAL . 94.1 t -138.41 118.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 124.421 1.088 . . . . 52.32 109.988 -175.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.553 HG22 HG22 ' A' ' 34' ' ' THR . 69.4 p -83.11 103.36 12.48 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 121.727 0.775 . . . . 64.42 110.211 173.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.8 mt -93.15 150.4 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.13 1.372 . . . . 74.24 110.144 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.5 m -140.98 133.22 28.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.828 -0.545 . . . . 61.2 110.516 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -72.61 136.94 45.84 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.987 0.915 . . . . 71.51 111.449 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.93 131.13 38.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.909 0.484 . . . . 75.44 111.409 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.5 -21.45 48.9 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.085 0.554 . . . . 54.42 111.239 171.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.98 -62.09 1.81 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.941 0.896 . . . . 75.55 110.845 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.81 -44.95 19.64 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.159 0.983 . . . . 74.43 112.43 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m 56.42 96.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.674 -1.232 . . . . 50.23 107.674 -156.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -67.81 82.39 0.19 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.772 0.796 . . . . 72.43 111.564 -155.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -69.26 97.07 0.9 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.584 -1.189 . . . . 65.45 110.143 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.9 t -87.7 116.4 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 N-CA-C 108.845 -0.798 . . . . 71.11 108.845 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.8 t -110.04 110.65 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.274 0.629 . . . . 43.25 110.123 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -100.99 108.59 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 123.221 0.608 . . . . 70.13 109.783 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 43.4 m-70 -83.45 132.85 34.94 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.351 1.06 . . . . 73.3 110.591 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.7 mt -132.22 137.32 47.52 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 123.366 0.667 . . . . 73.42 111.289 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.491 ' HA ' ' HB2' ' A' ' 13' ' ' ASP . 67.8 mttm -107.69 170.99 7.64 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.4 -0.813 . . . . 73.4 111.35 174.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -89.14 128.75 35.8 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 122.15 -0.344 . . . . 73.55 111.015 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.62 -123.93 3.71 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 116.411 -0.359 . . . . 65.11 112.304 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.3 tp -116.73 107.19 14.35 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.053 0.541 . . . . 72.44 109.808 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -70.84 122.79 20.56 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.115 0.566 . . . . 64.15 111.537 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -100.14 25.44 7.47 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 123.823 0.849 . . . . 72.4 110.885 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 62.82 84.83 0.14 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.985 1.314 . . . . 71.44 112.745 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -167.91 -176.71 3.13 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.748 0.819 . . . . 72.22 111.802 174.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.83 118.75 4.52 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.795 1.238 . . . . 73.44 112.961 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -81.05 148.82 29.5 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.592 0.757 . . . . 74.31 109.914 173.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 121.582 0.706 . . . . 73.43 110.591 -177.18 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 110.323 -0.251 . . . . 73.12 110.323 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -98.7 163.08 12.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.338 0.655 . . . . 50.32 111.31 -176.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 64' ' ' PHE . 12.3 tp10 -112.02 146.46 37.87 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.911 0.884 . . . . 75.24 111.214 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -109.57 124.75 51.65 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.944 0.898 . . . . 71.34 109.797 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.75 138.16 44.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.51 1.124 . . . . 44.31 110.323 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.493 ' HA ' HG22 ' A' ' 24' ' ' THR . 67.2 p -96.96 138.9 33.79 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.489 0.716 . . . . 73.33 112.202 -169.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.1 mt -128.69 110.71 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 124.935 1.294 . . . . 71.43 108.802 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -117.86 109.44 16.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.794 0.437 . . . . 65.3 111.049 -174.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -73.13 133.14 44.01 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 108.73 -0.841 . . . . 61.33 108.73 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 m -133.52 166.14 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.021 0.928 . . . . 72.43 110.289 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -126.95 115.48 19.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.396 0.678 . . . . 73.12 109.547 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -67.1 -26.24 66.61 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.46 1.104 . . . . 54.52 113.069 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -76.69 -8.57 57.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.948 -0.47 . . . . 60.23 111.171 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.8 mmpt? -105.62 18.68 21.8 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.144 0.978 . . . . 51.32 110.214 168.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.25 30.69 69.26 Favored Glycine 0 C--N 1.355 1.588 0 C-N-CA 123.183 0.421 . . . . 60.34 114.149 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.71 31.02 51.22 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 122.891 0.281 . . . . 63.12 113.394 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.35 140.04 31.86 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.476 0.71 . . . . 63.31 110.902 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -68.93 140.88 55.1 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.214 0.82 . . . . 74.22 113.214 -169.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.14 109.67 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.3 1.04 . . . . 73.04 108.845 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.48 -156.92 45.43 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.265 0.353 . . . . 42.42 113.153 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -94.13 154.9 17.35 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.124 0.569 . . . . 74.04 110.369 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.18 130.2 34.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 C-N-CA 123.198 0.599 . . . . 64.53 110.354 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.7 t -93.55 140.51 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.096 -1.075 . . . . 64.14 108.096 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.493 HG22 ' HA ' ' A' ' 6' ' ' THR . 56.6 p -131.91 145.81 51.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.67 -0.644 . . . . 55.14 112.031 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 m -116.33 138.44 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.466 1.106 . . . . 75.23 109.962 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.8 m -113.72 140.24 48.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.868 -0.52 . . . . 70.24 111.7 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.1 174.87 42.08 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.746 0.689 . . . . 65.22 111.571 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -81.24 154.15 26.77 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.141 -0.689 . . . . 73.12 109.141 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.6 p -55.13 -28.24 51.22 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 113.782 1.03 . . . . 33.11 113.782 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.76 -13.48 61.33 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.992 0.917 . . . . 70.3 112.874 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -101.94 151.93 21.53 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.505 0.722 . . . . 72.21 111.886 -177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -125.68 139.18 53.77 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.276 1.03 . . . . 62.44 108.672 167.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.0 t -115.97 160.69 19.91 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.624 0.769 . . . . 74.44 110.808 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.8 m -114.62 125.43 53.75 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.154 0.582 . . . . 63.33 109.639 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -112.53 131.56 55.54 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.129 0.972 . . . . 64.44 110.396 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.9 m -84.39 117.34 23.56 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.842 0.457 . . . . 65.12 110.659 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.28 116.11 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 124.471 1.108 . . . . 62.21 110.128 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.7 p -102.37 119.55 39.0 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.611 0.765 . . . . 75.15 110.677 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.7 mm -90.34 119.36 69.18 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.446 0.698 . . . . 72.31 110.794 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.08 143.24 25.55 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 123.045 2.497 . . . . 62.23 112.533 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.15 120.49 12.2 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.453 0.701 . . . . 72.34 110.767 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.36 -25.52 17.62 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 123.544 0.592 . . . . 51.43 112.63 -172.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -104.84 126.84 52.32 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.143 0.977 . . . . 73.34 110.08 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HB2' ' HG2' ' A' ' 77' ' ' LYS . 11.5 mm-40 -100.3 130.25 46.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.061 0.944 . . . . 71.54 109.894 -175.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -65.02 115.25 5.22 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.328 0.651 . . . . 73.22 111.264 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.5 t -93.46 -42.52 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.415 0.686 . . . . 73.41 110.099 177.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.74 -174.27 43.98 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.005 -0.543 . . . . 70.14 113.747 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.4 m -132.36 139.28 48.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.292 1.037 . . . . 63.42 109.826 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.63 152.41 45.21 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.435 1.094 . . . . 71.01 110.636 -174.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.41 -72.46 1.52 Allowed Glycine 0 N--CA 1.479 1.521 0 C-N-CA 122.76 0.219 . . . . 54.44 112.747 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.01 172.81 48.16 Favored Glycine 0 N--CA 1.478 1.495 0 CA-C-N 116.548 0.174 . . . . 70.22 113.069 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' HB ' HG22 ' A' ' 61' ' ' THR . 31.7 t -86.57 107.8 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 109.774 -0.454 . . . . 63.34 109.774 -176.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.4 p -84.2 147.99 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 122.926 0.49 . . . . 75.52 111.315 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.9 t -69.54 160.81 30.79 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.547 0.739 . . . . 72.21 111.08 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 t -62.17 -31.27 71.75 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.731 0.812 . . . . 72.41 113.078 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -89.61 -10.81 44.6 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.358 0.663 . . . . 75.21 112.386 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.33 12.25 84.75 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 114.703 0.641 . . . . 75.33 114.703 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 58' ' ' LYS . 5.2 ttpm? -78.8 -36.02 43.38 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.627 0.771 . . . . 71.15 112.2 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.9 p -131.86 165.69 23.27 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.424 0.69 . . . . 64.44 111.604 -175.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.57 131.22 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.187 0.995 . . . . 75.33 110.387 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.41 HG22 ' HB ' ' A' ' 52' ' ' VAL . 11.0 t -88.94 123.59 33.43 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.681 0.753 . . . . 61.12 110.714 175.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.606 HG12 HG21 ' A' ' 72' ' ' VAL . 18.1 mt -116.1 119.3 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.688 1.195 . . . . 72.01 109.7 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.9 m -107.66 129.8 54.98 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.553 -0.536 . . . . 61.0 109.553 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.448 ' HB3' ' HB3' ' A' ' 3' ' ' GLU . 38.3 m-85 -74.27 138.72 43.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.8 0.84 . . . . 62.31 110.982 -170.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.2 153.24 32.33 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 112.411 0.523 . . . . 71.22 112.411 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.55 22.09 0.6 Allowed 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.196 0.999 . . . . 21.34 111.432 171.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -132.3 158.61 41.42 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.039 1.336 . . . . 75.12 109.748 -174.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.0 -8.69 17.03 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.684 0.994 . . . . 73.0 113.684 -178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.5 p -65.33 -10.63 34.53 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 113.751 1.019 . . . . 41.12 113.751 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.65 -31.2 72.32 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.838 0.855 . . . . 64.42 112.633 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -60.99 133.98 56.64 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.09 0.956 . . . . 64.31 113.348 -172.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.606 HG21 HG12 ' A' ' 62' ' ' ILE . 88.9 t -124.64 117.15 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 N-CA-C 108.796 -0.816 . . . . 74.44 108.796 171.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.47 112.07 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.364 0.665 . . . . 70.42 109.912 -177.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.0 mm -85.81 117.59 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 109.384 -0.599 . . . . 55.13 109.384 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -94.97 119.98 34.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.24 0.616 . . . . 73.12 110.783 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.4 mt -121.33 169.07 10.96 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.664 1.186 . . . . 74.11 109.355 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' HG2' ' HB2' ' A' ' 44' ' ' GLU . 13.0 ptmm? -143.52 171.4 14.21 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.648 -0.501 . . . . 72.11 109.648 175.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -90.89 146.79 23.62 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.659 -0.65 . . . . 74.15 111.318 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.82 -148.08 16.15 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.763 -0.653 . . . . 71.12 112.458 171.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.71 117.54 19.95 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.711 0.404 . . . . 64.41 110.396 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.12 139.37 56.17 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.189 0.596 . . . . 63.12 112.106 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -110.55 96.98 6.53 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.846 0.858 . . . . 75.14 110.309 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -133.78 159.48 40.49 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.652 0.781 . . . . 70.51 111.218 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -100.05 -178.67 3.91 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.819 0.847 . . . . 73.45 110.915 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -69.99 138.9 52.62 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.888 0.475 . . . . 75.13 110.905 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -62.67 129.75 41.92 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.261 0.625 . . . . 64.31 111.199 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.0 t60 . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.161 0.984 . . . . 73.22 111.753 -178.893 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.258 0.075 . . . . 53.31 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -103.79 141.03 36.81 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.428 0.691 . . . . 73.33 109.335 167.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.549 ' HG2' ' HB ' ' A' ' 29' ' ' THR . 13.3 mp0 -100.53 140.29 35.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.267 0.627 . . . . 73.53 111.25 -167.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.29 162.6 23.41 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.348 0.594 . . . . 73.11 111.052 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.59 133.6 38.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.866 0.866 . . . . 50.41 109.655 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.7 p -100.03 126.13 46.18 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.321 0.648 . . . . 74.43 110.781 -173.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.57 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 26.4 mt -106.82 101.42 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.923 0.889 . . . . 63.34 109.681 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.3 m -110.24 111.49 22.84 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.336 0.655 . . . . 73.31 110.179 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -73.16 130.15 39.62 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.448 -0.575 . . . . 63.52 109.448 169.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.06 149.24 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.017 0.927 . . . . 63.22 109.694 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -91.07 105.34 17.75 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.524 -0.547 . . . . 70.3 109.524 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.25 -27.19 67.03 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.188 1.395 . . . . 62.12 111.853 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.34 -15.81 62.41 Favored 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 123.315 0.646 . . . . 74.42 111.662 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 17.31 15.72 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.721 0.808 . . . . 61.41 110.846 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.5 18.52 67.87 Favored Glycine 0 CA--C 1.543 1.801 0 N-CA-C 115.501 0.96 . . . . 41.35 115.501 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.43 51.07 0.47 Allowed Glycine 0 N--CA 1.48 1.632 0 CA-C-N 117.516 0.658 . . . . 34.3 114.247 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.33 122.59 37.04 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.048 0.539 . . . . 65.32 110.801 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.43 121.53 12.31 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.028 0.531 . . . . 71.42 112.327 -172.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -95.33 106.01 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 124.118 0.967 . . . . 73.52 109.186 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.51 -104.76 2.0 Allowed Glycine 0 CA--C 1.538 1.5 0 CA-C-O 119.889 -0.395 . . . . 74.4 112.275 -173.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -162.53 -177.88 5.89 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.253 0.621 . . . . 73.11 111.635 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.2 mt -80.99 140.74 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 123.957 0.903 . . . . 64.14 111.831 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 36.0 t -106.4 100.29 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.698 0.799 . . . . 65.21 108.928 172.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -86.11 114.98 23.4 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 121.974 -0.454 . . . . 73.05 109.886 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -104.44 139.51 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.702 0.401 . . . . 60.41 110.095 172.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.8 p -111.62 145.55 38.99 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.915 0.486 . . . . 72.32 111.053 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.78 -141.21 3.14 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 115.272 -0.876 . . . . 63.42 111.572 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -136.06 140.33 43.72 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 117.146 0.473 . . . . 73.3 110.026 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.549 ' HB ' ' HG2' ' A' ' 3' ' ' GLU . 8.9 t -57.96 -20.31 37.02 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 114.358 1.244 . . . . 61.41 114.358 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.57 -38.58 84.3 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.814 0.846 . . . . 64.04 111.576 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -110.31 165.07 12.07 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 122.004 0.907 . . . . 75.12 112.895 -171.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 63' ' ' THR . 88.1 p -114.36 170.23 8.45 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.123 -1.399 . . . . 72.45 110.67 173.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.5 t -137.39 160.82 37.99 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.615 0.766 . . . . 55.01 110.571 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 p -109.3 128.48 55.12 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.454 0.701 . . . . 74.41 109.887 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -121.89 122.53 39.61 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.404 0.682 . . . . 70.25 109.982 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -76.47 122.73 24.96 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.85 -0.426 . . . . 73.14 109.85 174.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.6 t -74.36 125.26 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 N-CA-C 108.966 -0.754 . . . . 74.44 108.966 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 p -105.94 113.59 27.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.459 0.704 . . . . 72.42 109.578 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mm -92.64 109.21 37.2 Favored Pre-proline 0 N--CA 1.484 1.265 0 C-N-CA 122.932 0.493 . . . . 65.23 110.027 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HD2' HD13 ' A' ' 76' ' ' LEU . 48.1 Cg_endo -65.8 145.85 81.87 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 122.463 2.109 . . . . 51.35 112.1 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.8 113.8 1.63 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.342 1.057 . . . . 54.21 112.122 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.47 -6.86 28.3 Favored Glycine 0 N--CA 1.481 1.639 0 C-N-CA 122.967 0.318 . . . . 75.02 113.731 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -109.11 161.08 15.54 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.552 0.741 . . . . 72.5 111.392 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -127.98 144.09 51.1 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.2 1.0 . . . . 74.41 109.857 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -69.85 132.52 46.16 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 122.858 0.463 . . . . 73.22 111.863 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.1 t -108.69 -61.75 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.399 0.68 . . . . 75.2 111.44 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.61 165.24 37.66 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-O 120.054 -0.303 . . . . 64.11 113.446 -174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.7 m -121.79 138.7 54.27 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.38 0.672 . . . . 65.41 111.508 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.589 ' HB2' ' HB ' ' A' ' 73' ' ' VAL . 22.2 m-20 -110.55 154.32 23.88 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.711 1.204 . . . . 75.21 110.437 178.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.66 -70.06 3.24 Favored Glycine 0 N--CA 1.479 1.5 0 N-CA-C 113.784 0.273 . . . . 63.21 113.784 172.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.58 -179.33 52.91 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 122.611 0.148 . . . . 63.34 113.263 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.1 t -105.33 115.31 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.282 0.633 . . . . 74.55 109.731 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.3 p -83.86 147.62 5.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 CA-C-O 121.123 0.487 . . . . 71.14 111.176 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -72.59 163.3 28.27 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.577 0.751 . . . . 64.23 112.098 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.0 p -58.99 -35.66 73.61 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.599 1.159 . . . . 75.24 113.075 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.99 -13.13 51.58 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.239 0.615 . . . . 72.12 112.094 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.37 6.58 80.79 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 114.767 0.667 . . . . 54.35 114.767 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -80.88 -35.94 31.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.511 0.724 . . . . 72.34 111.398 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.8 p -126.06 162.09 26.11 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.814 0.846 . . . . 73.54 111.461 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.6 p -130.81 122.87 53.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 C-N-CA 124.55 1.14 . . . . 75.43 109.782 174.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.8 m -77.38 108.85 10.82 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.445 -0.576 . . . . 75.41 109.445 171.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.437 HG12 HG21 ' A' ' 72' ' ' VAL . 21.4 mt -104.71 110.3 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.699 0.8 . . . . 74.32 110.076 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 12.4 m -91.76 148.43 22.25 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 108.905 -0.776 . . . . 74.42 108.905 175.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -88.39 141.64 28.38 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.895 -0.503 . . . . 75.34 111.164 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.03 153.19 42.71 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.916 0.886 . . . . 71.33 110.223 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.4 -18.81 65.57 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.464 0.705 . . . . 12.33 112.035 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -116.12 -173.2 2.32 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 124.554 1.142 . . . . 70.21 111.575 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -90.63 13.39 16.11 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.095 1.146 . . . . 73.21 114.095 -170.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.8 t -62.54 -24.36 67.47 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 113.524 0.935 . . . . 74.44 113.524 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -116.84 10.09 14.07 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.584 0.754 . . . . 61.13 112.014 -173.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -70.16 116.48 10.58 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.096 0.558 . . . . 44.31 109.694 175.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 99.4 t -88.47 126.17 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.53 0.732 . . . . 51.14 111.686 -167.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.589 ' HB ' ' HB2' ' A' ' 49' ' ' ASP . 72.9 t -118.5 103.21 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 108.997 -0.742 . . . . 54.32 108.997 174.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.5 mt -89.14 125.86 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.462 0.705 . . . . 71.22 110.466 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -98.09 125.64 43.18 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.2 1.0 . . . . 74.44 109.994 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.479 HD13 ' HD2' ' A' ' 40' ' ' PRO . 57.5 mt -128.04 134.87 49.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.239 0.616 . . . . 74.55 109.807 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -102.63 172.68 6.71 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 109.965 -0.383 . . . . 72.13 109.965 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -87.94 142.43 27.8 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.938 -0.393 . . . . 50.22 109.938 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.77 116.63 8.47 Favored Glycine 0 C--N 1.349 1.279 0 N-CA-C 111.124 -0.791 . . . . 72.04 111.124 170.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.76 83.61 0.3 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.389 0.675 . . . . 75.11 112.74 -163.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 30.24 -80.09 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 128.045 2.538 . . . . 74.03 115.979 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -92.28 144.75 25.08 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.973 -0.454 . . . . 74.0 111.115 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -76.96 157.0 31.54 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.875 0.47 . . . . 74.41 110.823 173.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 62.69 34.69 14.6 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.418 1.087 . . . . 73.32 111.195 -170.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -74.44 -12.95 60.64 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.283 0.845 . . . . 55.31 113.283 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -143.1 136.51 28.35 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.217 0.607 . . . . 74.53 109.855 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.2 t60 . . . . . 0 N--CA 1.486 1.343 0 C-N-CA 124.024 0.93 . . . . 70.44 111.15 177.752 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 109.93 -0.396 . . . . 64.52 109.93 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -111.26 106.05 14.91 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.74 0.816 . . . . 64.31 110.874 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -98.71 138.47 35.83 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.338 0.655 . . . . 74.41 110.19 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -113.17 148.83 34.62 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-O 121.417 0.627 . . . . 65.02 112.418 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.454 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -114.02 135.96 53.44 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.65 1.18 . . . . 64.21 110.083 176.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -111.53 126.72 55.28 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.526 0.73 . . . . 71.12 111.083 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.71 123.55 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.76 0.824 . . . . 71.5 109.938 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.2 m -121.28 115.47 23.05 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.08 0.552 . . . . 72.11 110.608 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -75.83 135.32 40.22 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.96 0.504 . . . . 73.43 109.966 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.19 150.2 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 123.392 0.677 . . . . 71.21 111.158 -177.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -105.63 111.83 24.67 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.314 0.646 . . . . 75.35 110.509 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.07 -24.92 68.13 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.815 1.246 . . . . 72.11 113.441 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -86.51 -3.75 59.06 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 112.367 0.506 . . . . 70.52 112.367 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -124.09 23.66 8.41 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.549 0.74 . . . . 63.22 110.48 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.61 35.01 79.91 Favored Glycine 0 C--N 1.351 1.369 0 CA-C-N 116.093 -0.503 . . . . 72.21 114.208 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.9 40.66 43.55 Favored Glycine 0 CA--C 1.541 1.677 0 N-CA-C 114.33 0.492 . . . . 74.22 114.33 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.59 145.64 30.53 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 117.44 0.62 . . . . 74.1 111.527 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -60.73 123.22 16.83 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 113.093 0.775 . . . . 64.31 113.093 -173.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.1 t -93.59 106.14 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 123.788 0.835 . . . . 64.55 109.249 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.8 -96.98 0.47 Allowed Glycine 0 CA--C 1.536 1.372 0 N-CA-C 114.726 0.65 . . . . 72.42 114.726 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.54 159.31 29.43 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 113.349 0.87 . . . . 72.4 113.349 -163.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.3 mt -106.75 123.4 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.012 0.925 . . . . 64.25 108.551 163.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.96 108.44 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.667 0.787 . . . . 65.13 110.509 -176.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 m -98.07 106.4 18.69 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.696 -0.483 . . . . 71.01 109.696 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -104.01 141.08 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.12 0.568 . . . . 45.31 110.116 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.4 m -121.99 135.07 54.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.863 -0.523 . . . . 64.12 111.893 -173.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.68 -110.54 0.41 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 111.079 -0.808 . . . . 64.31 111.079 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 82.5 tttt -155.73 151.59 27.52 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.221 0.608 . . . . 74.33 110.161 173.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.3 t -58.29 -24.29 59.06 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 113.342 0.867 . . . . 62.1 113.342 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.98 -36.74 64.56 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.921 0.888 . . . . 71.23 110.986 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -85.76 158.91 19.89 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.046 0.938 . . . . 72.11 112.189 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.1 p -133.46 159.53 40.08 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.879 0.871 . . . . 73.04 111.066 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -137.29 161.26 36.72 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.8 0.84 . . . . 72.23 110.983 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.1 p -119.21 110.61 17.22 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.787 0.835 . . . . 73.02 110.119 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -101.31 138.2 38.64 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.781 0.832 . . . . 72.1 110.913 -176.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.3 t -86.56 138.43 31.72 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 121.033 0.444 . . . . 62.14 111.567 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.502 HG13 HG21 ' A' ' 74' ' ' ILE . 89.1 t -76.48 127.31 37.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.353 0.661 . . . . 73.21 110.186 176.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.0 m -99.35 106.1 18.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.145 0.978 . . . . 74.42 109.488 -175.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.6 mm -90.33 113.68 58.34 Favored Pre-proline 0 CA--C 1.559 1.292 0 C-N-CA 123.434 0.694 . . . . 71.11 110.705 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.47 162.65 33.11 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.813 2.342 . . . . 63.02 112.695 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.59 119.33 14.59 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.761 0.824 . . . . 45.2 111.527 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.15 12.21 63.74 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 116.122 -0.49 . . . . 33.51 113.716 -176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -123.1 146.33 47.81 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.691 0.796 . . . . 63.32 110.847 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' HG2' ' HA3' ' A' ' 79' ' ' GLY . 49.1 mm-40 -119.07 149.33 41.86 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.909 0.884 . . . . 62.43 110.36 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -69.79 132.05 45.47 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.202 0.601 . . . . 74.43 111.746 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.9 t -107.09 -60.37 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.264 0.626 . . . . 73.25 111.386 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.25 -175.37 35.84 Favored Glycine 0 N--CA 1.483 1.821 0 N-CA-C 113.82 0.288 . . . . 55.11 113.82 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.4 m -148.75 138.35 21.96 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.911 0.885 . . . . 72.31 110.844 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -122.69 153.7 39.07 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.499 1.12 . . . . 74.42 111.089 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.51 -71.57 1.14 Allowed Glycine 0 N--CA 1.477 1.402 0 CA-C-N 116.636 -0.256 . . . . 32.52 113.268 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.2 -172.8 43.42 Favored Glycine 0 CA--C 1.535 1.313 0 N-CA-C 113.637 0.215 . . . . 40.21 113.637 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.09 150.49 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.252 0.621 . . . . 74.31 109.567 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.18 149.38 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.072 0.549 . . . . 74.23 111.547 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -72.02 159.72 33.72 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.837 0.855 . . . . 74.31 111.808 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.3 m -69.16 -24.09 64.03 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.347 0.659 . . . . 74.1 111.548 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -81.64 -19.85 40.87 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.441 0.696 . . . . 75.2 111.317 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.21 11.87 59.7 Favored Glycine 0 C--N 1.355 1.626 0 N-CA-C 115.018 0.767 . . . . 72.1 115.018 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -90.35 -17.16 27.8 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.614 0.766 . . . . 70.0 112.108 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 69.4 p -133.49 153.63 51.47 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.692 0.797 . . . . 73.32 110.332 172.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.8 m -130.69 122.67 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 C-N-CA 125.078 1.351 . . . . 64.4 109.501 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.0 m -86.09 105.93 16.86 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.321 0.581 . . . . 74.22 109.851 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.498 HG12 HG21 ' A' ' 72' ' ' VAL . 50.0 mt -107.89 110.46 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.43 1.092 . . . . 61.05 110.919 -171.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.1 m -90.66 129.25 36.79 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.782 -0.821 . . . . 73.2 108.782 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 56.1 m-85 -65.32 149.64 49.63 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.981 -0.377 . . . . 75.24 109.981 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.19 151.23 32.74 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.944 0.402 . . . . 33.51 112.055 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.88 -4.65 57.05 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 115.687 -0.688 . . . . 54.42 110.311 163.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -97.4 163.98 12.65 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 125.36 1.464 . . . . 71.52 110.644 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.62 -2.81 15.49 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 113.959 1.096 . . . . 75.31 113.959 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.2 m -71.38 1.81 5.77 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 113.096 0.776 . . . . 71.2 113.096 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.454 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 4.8 p-10 -76.61 -25.61 54.07 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.691 0.797 . . . . 75.14 111.284 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -70.97 101.42 2.18 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.746 0.819 . . . . 70.22 110.924 -174.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.498 HG21 HG12 ' A' ' 62' ' ' ILE . 97.9 t -101.33 117.46 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.594 -0.521 . . . . 62.45 109.594 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.65 107.16 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.396 0.678 . . . . 54.42 109.911 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.502 HG21 HG13 ' A' ' 37' ' ' VAL . 71.2 mt -92.53 117.26 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.12 0.568 . . . . 61.1 109.83 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -85.47 137.52 32.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.516 1.126 . . . . 74.42 111.567 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -139.35 141.89 37.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.042 1.337 . . . . 65.23 110.05 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -125.43 173.29 8.99 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.276 0.63 . . . . 73.4 110.034 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -82.65 122.68 28.44 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 122.754 0.422 . . . . 72.3 111.151 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.414 ' HA3' ' HG2' ' A' ' 44' ' ' GLU . . . -111.94 36.54 4.11 Favored Glycine 0 N--CA 1.473 1.121 0 N-CA-C 111.088 -0.805 . . . . 64.1 111.088 174.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.31 107.81 3.43 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.234 1.014 . . . . 73.24 111.23 -172.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -139.85 139.68 36.36 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.283 1.033 . . . . 71.35 108.578 172.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -63.25 151.43 40.56 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.048 0.539 . . . . 73.22 111.531 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -40.71 94.98 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 125.454 1.502 . . . . 75.03 113.654 -176.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -110.45 134.7 52.09 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.097 -0.956 . . . . 74.24 111.967 -167.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -124.4 98.17 5.63 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.611 0.764 . . . . 70.54 110.646 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -133.79 177.97 7.3 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.195 1.398 . . . . 71.31 109.419 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.4 t60 . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.299 0.571 . . . . 74.32 110.186 179.704 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.122 -0.325 . . . . 71.2 110.122 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -85.57 110.18 19.06 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.089 0.556 . . . . 73.42 109.753 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -97.53 139.61 33.19 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 110.145 -0.316 . . . . 75.24 110.145 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -102.32 167.36 10.03 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.486 0.55 . . . . 72.33 112.486 -174.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -139.39 146.87 40.72 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.371 1.069 . . . . 74.44 110.388 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 m -108.69 136.64 47.94 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.839 0.856 . . . . 50.54 110.864 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.3 mp -118.63 133.45 65.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 108.385 -0.968 . . . . 61.32 108.385 170.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.4 m -144.45 112.65 6.43 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.996 0.518 . . . . 60.5 110.739 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.442 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 41.0 m-85 -74.67 146.78 42.06 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.123 0.569 . . . . 75.54 110.346 173.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -145.39 144.69 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 C-N-CA 124.565 1.146 . . . . 72.51 109.555 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -90.92 113.45 25.67 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.808 0.443 . . . . 73.31 110.637 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.33 -23.39 66.99 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.71 0.404 . . . . 62.42 110.755 168.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.596 ' HB2' ' HG3' ' A' ' 77' ' ' LYS . 25.8 t70 -62.13 -34.74 76.95 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.891 1.276 . . . . 75.15 111.68 171.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.88 28.6 7.81 Favored 'General case' 0 CA--C 1.566 1.569 0 C-N-CA 123.68 0.792 . . . . 72.34 110.918 -173.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.37 27.59 72.5 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 115.294 0.878 . . . . 51.11 115.294 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.82 27.5 45.99 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 114.02 0.368 . . . . 73.34 114.02 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 133.53 36.18 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.344 0.658 . . . . 21.41 111.922 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -61.71 133.09 55.14 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 113.533 0.938 . . . . 74.11 113.533 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 76' ' ' LEU . 46.7 t -87.47 105.53 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.835 0.854 . . . . 74.52 109.629 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.19 -134.31 33.92 Favored Glycine 0 CA--C 1.542 1.747 0 N-CA-C 114.462 0.545 . . . . 53.15 114.462 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -96.53 -172.84 2.6 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.798 0.839 . . . . 74.43 112.461 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.4 mt -104.31 136.9 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 124.34 1.056 . . . . 74.43 110.25 173.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.516 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 44.2 t -96.24 148.47 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.288 0.635 . . . . 73.13 109.818 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.7 m -136.51 133.63 36.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.931 -0.481 . . . . 74.11 111.244 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.46 164.16 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.722 0.809 . . . . 73.04 110.059 173.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -134.27 149.16 50.9 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.918 0.487 . . . . 53.13 111.645 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.7 -121.23 0.64 Allowed Glycine 0 CA--C 1.533 1.17 0 CA-C-N 115.741 -0.663 . . . . 62.32 112.196 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HG3' ' H ' ' A' ' 30' ' ' ASP . 23.6 tptm -157.49 149.11 22.02 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 117.67 0.735 . . . . 51.41 111.616 -174.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.1 p -50.5 -41.99 54.13 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.397 1.079 . . . . 63.23 113.466 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.433 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 16.3 m-20 -64.5 -33.0 74.87 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.41 0.684 . . . . 71.4 112.323 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -103.94 149.92 24.67 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.625 0.726 . . . . 65.13 112.824 -169.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.7 p -106.97 152.91 23.34 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.223 1.009 . . . . 60.01 110.191 173.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 t -128.1 156.74 42.34 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.442 0.697 . . . . 71.44 111.015 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.2 p -110.7 115.51 29.7 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.244 0.618 . . . . 73.41 110.454 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -95.6 130.68 42.38 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.884 0.874 . . . . 73.43 109.931 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -83.59 115.96 22.37 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.363 0.529 . . . . 71.43 110.29 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.94 116.74 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 C-N-CA 123.237 0.615 . . . . 74.54 110.004 176.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -99.7 116.26 31.38 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.499 0.719 . . . . 55.41 109.722 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.1 mm -86.33 108.28 16.91 Favored Pre-proline 0 CA--C 1.563 1.461 0 C-N-CA 123.208 0.603 . . . . 74.11 110.367 -177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.19 161.59 44.12 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.955 2.436 . . . . 64.22 113.462 -176.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.98 118.63 11.42 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.53 0.732 . . . . 75.53 111.596 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.79 -7.38 67.77 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-N 116.152 -0.476 . . . . 72.43 113.337 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -108.09 137.13 46.6 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.118 0.967 . . . . 75.01 109.681 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -117.05 134.37 54.84 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.686 0.794 . . . . 70.44 110.355 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.408 ' OH ' HG21 ' A' ' 53' ' ' VAL . 86.8 t80 -64.7 114.1 4.21 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.68 0.392 . . . . 73.21 110.987 177.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.5 t -97.38 -50.87 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.249 0.62 . . . . 71.31 110.784 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.19 -173.98 38.62 Favored Glycine 0 N--CA 1.472 1.061 0 CA-C-N 116.06 -0.518 . . . . 73.41 113.396 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 m -138.85 142.51 38.63 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.586 0.754 . . . . 72.44 110.626 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -123.07 150.97 42.46 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.892 1.277 . . . . 61.43 109.897 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.72 -76.22 2.13 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 113.622 0.209 . . . . 73.25 113.622 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' H ' HG13 ' A' ' 72' ' ' VAL . . . -86.8 178.18 48.43 Favored Glycine 0 N--CA 1.477 1.416 0 N-CA-C 113.924 0.33 . . . . 64.11 113.924 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.0 t -94.9 107.35 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.682 -0.488 . . . . 74.25 109.682 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.408 HG21 ' OH ' ' A' ' 45' ' ' TYR . 10.2 p -80.56 148.99 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 CA-C-O 121.117 0.484 . . . . 71.24 111.829 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 t -67.85 160.16 28.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.334 0.654 . . . . 75.21 111.109 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.7 p -56.47 -37.39 70.24 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.882 0.873 . . . . 74.24 113.01 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.64 -18.33 35.75 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.15 0.58 . . . . 72.4 112.514 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.23 16.73 80.44 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 114.065 0.386 . . . . 54.14 114.065 -170.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -79.61 -26.15 41.27 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 122.956 0.502 . . . . 45.43 111.36 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.1 p -141.75 162.9 34.34 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.645 1.178 . . . . 75.02 111.206 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 72' ' ' VAL . 69.5 t -132.36 127.08 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 124.236 1.014 . . . . 71.31 110.155 172.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.6 m -78.27 104.91 9.16 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.101 0.56 . . . . 74.41 109.769 170.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.518 HG12 HG21 ' A' ' 72' ' ' VAL . 36.1 mt -98.36 133.86 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.887 0.875 . . . . 74.43 109.19 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.1 m -121.91 131.05 53.82 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.429 -0.582 . . . . 60.34 109.429 173.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -73.44 116.22 13.75 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.694 0.798 . . . . 74.23 111.633 -168.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.673 ' HB3' ' HB3' ' A' ' 69' ' ' SER . . . -148.97 114.64 5.64 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.019 0.528 . . . . 71.32 110.484 177.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.62 3.64 2.33 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 114.157 1.169 . . . . 71.44 114.157 -176.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.36 45.17 1.22 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.716 0.807 . . . . 74.41 111.08 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 57.33 25.18 10.9 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.556 1.542 . . . . 74.43 113.303 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.673 ' HB3' ' HB3' ' A' ' 65' ' ' ALA . 44.6 t -101.21 -9.61 21.12 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.258 0.623 . . . . 73.55 111.374 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.4 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 9.2 p-10 -76.51 -26.36 55.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.035 0.934 . . . . 73.31 112.251 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -84.96 126.51 33.58 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 121.442 0.639 . . . . 74.14 111.746 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 60' ' ' VAL . 59.6 t -118.18 120.81 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.882 1.273 . . . . 64.45 109.734 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.92 107.84 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.096 0 C-N-CA 123.125 0.57 . . . . 52.11 110.838 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.9 mm -84.53 142.36 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 109.564 -0.532 . . . . 75.23 109.564 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -111.67 132.49 54.56 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.14 0.576 . . . . 51.2 111.58 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.526 HD12 HG21 ' A' ' 19' ' ' VAL . 98.5 mt -133.05 168.27 18.79 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.932 1.293 . . . . 65.15 110.75 -176.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.596 ' HG3' ' HB2' ' A' ' 13' ' ' ASP . 79.7 tttt -146.17 143.8 29.52 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 120.9 0.381 . . . . 65.03 111.802 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -84.95 124.3 31.51 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.933 0.493 . . . . 55.04 110.411 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.46 135.75 5.77 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 114.072 0.389 . . . . 61.1 114.072 -177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.49 113.7 0.88 Allowed 'General case' 0 CA--C 1.565 1.531 0 C-N-CA 123.846 0.858 . . . . 73.11 112.337 171.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -54.55 -40.44 68.71 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.31 1.044 . . . . 62.4 112.929 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -62.95 -33.99 76.55 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 122.973 0.509 . . . . 75.13 112.106 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -68.28 -47.32 67.97 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.676 0.39 . . . . 72.03 110.885 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.1 t60 58.53 26.15 13.98 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.45 1.1 . . . . 72.42 112.761 169.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -71.38 124.46 24.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.199 0.6 . . . . 74.34 112.113 -173.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -77.34 92.78 3.95 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.175 0.59 . . . . 64.02 111.178 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 123.348 0.659 . . . . 65.23 110.56 173.803 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mmt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.424 -0.584 . . . . 72.13 109.424 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.77 85.69 0.28 Allowed 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 125.694 1.598 . . . . 71.01 108.035 -177.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -91.41 158.29 16.6 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.226 1.01 . . . . 61.11 112.547 -163.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -97.54 162.29 13.37 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.488 0.661 . . . . 63.44 112.493 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -141.82 117.94 10.67 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 114.63 -1.168 . . . . 74.33 108.171 168.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.9 m -104.52 125.03 50.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.467 0.707 . . . . 70.22 111.698 -169.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.67 126.97 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 123.654 0.782 . . . . 71.11 108.924 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.6 m -131.53 112.09 12.34 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.75 0.309 . . . . 74.44 111.421 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -80.06 128.23 33.25 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.999 0.519 . . . . 73.34 109.701 170.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.96 154.63 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 124.395 1.078 . . . . 63.24 109.554 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -106.29 122.86 47.09 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 121.591 0.71 . . . . 71.21 112.05 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.24 -38.39 26.49 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 126.066 1.746 . . . . 44.33 113.332 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.91 -33.45 75.74 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.759 0.824 . . . . 54.42 112.965 -171.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.578 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -113.11 30.69 6.99 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.671 0.788 . . . . 73.33 110.852 -176.173 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.49 28.32 72.52 Favored Glycine 0 CA--C 1.534 1.258 0 N-CA-C 114.977 0.751 . . . . 52.31 114.977 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.49 55.22 2.5 Favored Glycine 0 CA--C 1.534 1.235 0 N-CA-C 114.066 0.386 . . . . 55.44 114.066 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.73 140.0 31.96 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.151 0.475 . . . . 73.31 110.838 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 21' ' ' ASP . 7.9 tt0 -61.45 125.17 22.82 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.981 0.913 . . . . 74.53 113.127 -173.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.6 t -98.7 110.27 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.386 1.074 . . . . 75.53 109.26 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.28 -110.16 3.05 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 112.091 -0.404 . . . . 65.43 112.091 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 3.5 p30 -149.61 178.65 8.65 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.398 0.618 . . . . 74.14 112.06 175.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.4 mt -92.94 128.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 C-N-CA 123.709 0.804 . . . . 74.42 110.862 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.4 t -100.71 101.85 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.617 0.767 . . . . 63.31 109.478 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -108.25 117.79 35.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 122.01 -0.432 . . . . 61.53 110.262 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.62 156.74 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.482 0.713 . . . . 72.1 111.348 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.2 p -111.65 151.1 29.23 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 122.979 0.512 . . . . 65.21 111.957 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.14 -137.45 2.45 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-N 115.836 -0.62 . . . . 74.35 112.619 -175.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -134.28 149.39 50.92 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.445 0.698 . . . . 74.51 110.497 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.0 p -48.07 -46.41 33.62 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.792 0.837 . . . . 73.42 113.235 172.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.08 -25.64 55.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.465 0.706 . . . . 73.33 112.088 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.89 152.35 21.29 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.587 0.708 . . . . 75.31 112.275 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -138.26 167.5 21.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.288 1.035 . . . . 61.12 110.276 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -148.97 161.08 42.63 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.463 0.705 . . . . 72.2 111.236 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.0 p -111.95 116.01 29.9 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.098 0.559 . . . . 63.3 109.919 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -99.43 123.17 43.47 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.322 1.049 . . . . 74.2 110.106 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -73.42 126.78 30.95 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.006 0.431 . . . . 62.52 110.834 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.62 127.52 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.366 0.666 . . . . 75.22 109.742 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.9 m -110.7 107.65 17.28 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.129 0.972 . . . . 34.11 110.235 -172.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.4 mm -90.74 111.57 48.58 Favored Pre-proline 0 CA--C 1.562 1.44 0 C-N-CA 123.606 0.762 . . . . 74.01 110.474 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.48 162.54 39.81 Favored 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 123.224 2.616 . . . . 41.34 113.491 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.06 128.67 36.72 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.489 0.716 . . . . 74.13 111.511 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.63 6.56 83.03 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 116.116 -0.493 . . . . 24.33 113.759 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . 82.1 m-85 -119.91 141.66 49.41 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.752 0.821 . . . . 74.3 110.415 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -120.76 123.19 42.05 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.255 1.022 . . . . 72.12 109.669 -173.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.443 ' HA ' HD23 ' A' ' 76' ' ' LEU . 70.5 t80 -58.81 129.23 41.13 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.903 0.705 . . . . 75.42 112.903 -176.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.91 -65.71 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 124.064 0.945 . . . . 75.44 110.167 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.72 167.69 40.03 Favored Glycine 0 C--N 1.343 0.952 0 CA-C-N 115.506 -0.77 . . . . 32.25 112.817 -172.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.4 m -118.97 135.37 54.64 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.348 1.059 . . . . 75.53 109.884 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.78 150.68 35.03 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.819 0.848 . . . . 63.21 110.397 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.07 -69.65 1.35 Allowed Glycine 0 CA--C 1.532 1.127 0 CA-C-N 116.356 -0.384 . . . . 72.14 113.424 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' N ' HG22 ' A' ' 72' ' ' VAL . . . -90.68 -173.78 44.31 Favored Glycine 0 N--CA 1.476 1.365 0 N-CA-C 113.867 0.307 . . . . 65.11 113.867 -177.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -102.28 112.25 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 C-N-CA 123.176 0.59 . . . . 75.13 109.531 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.403 HG21 ' OH ' ' A' ' 45' ' ' TYR . 9.9 p -84.51 154.67 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-O 121.395 0.616 . . . . 62.03 111.608 -175.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.7 t -63.27 160.07 16.54 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.862 1.265 . . . . 63.32 112.167 172.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.4 m -67.57 -33.9 75.96 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.392 0.677 . . . . 74.43 111.251 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.59 -13.26 43.3 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.698 0.799 . . . . 73.45 111.789 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.93 23.64 77.48 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-N 116.542 -0.299 . . . . 64.2 113.214 -172.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -79.4 -25.1 42.17 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.237 0.615 . . . . 71.23 112.18 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 t -151.49 172.34 16.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.696 0.798 . . . . 65.23 110.919 -175.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 HG11 ' A' ' 72' ' ' VAL . 3.7 p -147.13 127.88 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 124.161 0.985 . . . . 73.2 110.525 177.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -79.79 107.92 12.95 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.134 0.573 . . . . 70.42 109.869 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.575 HG12 HG21 ' A' ' 72' ' ' VAL . 30.0 mt -112.8 133.44 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.378 1.071 . . . . 62.42 110.677 -177.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.4 m -113.82 143.51 44.54 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.188 0.595 . . . . 25.14 110.328 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -78.63 139.91 38.49 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.562 0.745 . . . . 74.25 110.804 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.05 140.2 32.52 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.099 0.407 . . . . 72.25 112.099 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.79 -17.85 58.78 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.164 0.586 . . . . 64.24 110.895 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -93.08 179.61 5.38 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.893 0.877 . . . . 63.43 109.628 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -83.85 28.76 0.57 Allowed 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 123.425 0.69 . . . . 73.13 111.891 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -90.03 -3.38 58.0 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.333 1.053 . . . . 63.24 111.937 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.492 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 9.8 p-10 -81.33 -40.57 23.37 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.418 1.087 . . . . 64.22 113.536 -175.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -66.44 121.4 15.22 Favored 'General case' 0 CA--C 1.557 1.214 0 N-CA-C 113.848 1.055 . . . . 75.53 113.848 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.575 HG21 HG12 ' A' ' 62' ' ' ILE . 76.0 t -110.05 125.01 67.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 125.428 1.491 . . . . 63.31 110.175 175.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.92 120.24 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.344 0.658 . . . . 71.23 111.072 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.0 mm -92.74 137.47 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 124.043 0.937 . . . . 71.51 109.45 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -116.0 139.54 50.16 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 123.459 0.704 . . . . 72.51 111.168 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.445 ' HB3' ' HB3' ' A' ' 43' ' ' TYR . 40.7 mt -139.16 139.07 37.48 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 123.936 0.894 . . . . 63.44 111.897 -175.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -93.36 159.32 15.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.721 -1.237 . . . . 71.22 110.047 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -84.12 149.98 25.84 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 122.057 -0.402 . . . . 64.4 110.932 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.87 96.9 1.92 Allowed Glycine 0 CA--C 1.532 1.105 0 CA-C-N 116.028 -0.533 . . . . 71.41 112.066 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mp -75.43 -65.42 0.89 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.151 0.581 . . . . 72.13 110.617 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 50.26 85.17 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 124.632 1.173 . . . . 64.24 112.211 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 72.82 -40.76 0.48 Allowed 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 125.133 1.373 . . . . 75.01 112.988 -173.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -62.29 137.71 58.3 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.58 0.752 . . . . 74.24 112.631 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -106.37 143.29 34.7 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.763 0.825 . . . . 73.22 111.198 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -136.67 165.49 25.78 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.93 0.892 . . . . 72.42 111.287 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 67.74 16.77 9.79 Favored 'General case' 0 CA--C 1.571 1.763 0 C-N-CA 124.936 1.295 . . . . 53.53 112.319 175.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.2 t60 . . . . . 0 N--CA 1.487 1.401 0 C-N-CA 123.635 0.774 . . . . 74.25 110.01 179.464 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.589 0.233 . . . . 65.45 110.572 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -168.46 97.92 0.41 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.902 1.281 . . . . 74.13 108.468 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -92.25 140.56 29.49 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.911 -0.493 . . . . 64.42 110.629 -168.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -117.38 155.06 30.25 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.217 0.607 . . . . 62.5 111.665 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.87 133.11 39.34 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.966 0.907 . . . . 65.44 109.611 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.5 p -112.54 136.14 52.42 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.175 0.59 . . . . 61.34 111.487 -169.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.04 115.2 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 123.614 0.766 . . . . 71.02 109.413 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.3 m -112.94 112.88 24.67 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.322 0.649 . . . . 72.13 110.806 -176.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -78.88 136.59 37.34 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.274 0.63 . . . . 72.54 109.951 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.0 145.29 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 C-N-CA 123.712 0.805 . . . . 72.54 111.103 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -106.65 127.12 53.09 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.445 0.698 . . . . 74.55 111.492 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.66 -38.39 89.21 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.566 1.147 . . . . 62.22 112.002 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -78.76 0.71 25.78 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.402 0.681 . . . . 74.21 112.582 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.88 18.29 14.04 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 123.303 0.641 . . . . 73.15 109.953 172.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.87 37.55 60.84 Favored Glycine 0 C--N 1.354 1.554 0 N-CA-C 114.214 0.446 . . . . 44.35 114.214 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.09 32.26 69.32 Favored Glycine 0 CA--C 1.54 1.633 0 N-CA-C 113.67 0.228 . . . . 71.0 113.67 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.65 147.39 27.72 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.184 0.594 . . . . 64.52 111.974 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -61.28 125.05 22.37 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 123.462 0.705 . . . . 55.22 112.683 -175.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.2 t -92.12 110.35 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.994 0.918 . . . . 75.02 109.357 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.72 -104.01 1.46 Allowed Glycine 0 CA--C 1.535 1.329 0 CA-C-N 116.247 -0.433 . . . . 62.11 113.334 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -149.98 155.72 40.45 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 123.161 0.584 . . . . 63.41 111.383 -172.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.32 139.86 17.42 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 C-N-CA 124.077 0.951 . . . . 74.12 111.044 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.74 102.8 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.194 0.998 . . . . 75.33 110.276 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.9 m -94.85 137.99 33.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.87 -0.519 . . . . 55.2 110.95 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -124.09 139.89 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.907 0.883 . . . . 64.22 110.097 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -121.19 136.12 55.03 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 123.006 0.522 . . . . 73.53 111.608 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.31 -133.5 1.63 Allowed Glycine 0 CA--C 1.536 1.378 0 CA-C-N 115.559 -0.746 . . . . 60.24 111.882 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -135.87 151.52 50.1 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 117.842 0.821 . . . . 73.14 111.155 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.3 m -57.91 -29.82 65.4 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.029 0.932 . . . . 71.31 113.124 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.62 -33.12 73.38 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.748 0.819 . . . . 60.13 112.771 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -115.19 153.47 30.77 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.522 0.729 . . . . 75.34 111.889 -177.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 p -115.88 148.65 39.75 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.803 0.841 . . . . 63.12 111.178 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -116.03 138.42 51.24 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.182 0.993 . . . . 62.51 110.513 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -102.42 109.1 20.64 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.84 -0.538 . . . . 73.11 109.725 176.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -91.36 133.18 35.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.838 0.855 . . . . 73.32 110.837 -175.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -83.67 124.02 30.41 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.167 0.587 . . . . 72.55 110.871 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.0 t -76.53 126.91 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 123.407 0.683 . . . . 62.25 110.552 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 m -113.52 106.03 14.07 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.133 0.973 . . . . 70.04 109.976 -172.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.5 mm -91.64 111.33 48.79 Favored Pre-proline 0 CA--C 1.563 1.466 0 C-N-CA 122.959 0.504 . . . . 61.22 110.887 -175.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.66 163.67 36.76 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.812 2.341 . . . . 63.43 114.098 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.77 131.47 48.97 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.072 0.949 . . . . 71.5 112.352 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.515 ' HA2' ' HB3' ' A' ' 80' ' ' LEU . . . 96.04 -21.36 45.52 Favored Glycine 0 C--N 1.349 1.285 0 CA-C-N 116.195 -0.457 . . . . 41.22 112.9 -177.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -108.97 164.15 12.66 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.691 0.796 . . . . 72.31 111.037 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' HB2' ' HA3' ' A' ' 79' ' ' GLY . 3.9 tm-20 -149.92 141.88 23.86 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.939 0.896 . . . . 62.4 109.196 -172.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -71.28 130.24 40.9 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 113.254 0.835 . . . . 74.34 113.254 -172.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.48 -62.72 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 123.423 0.689 . . . . 74.51 110.603 172.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.32 -173.97 37.38 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 116.03 -0.532 . . . . 74.33 113.176 -171.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.626 HG23 HG13 ' A' ' 72' ' ' VAL . 12.8 m -134.16 138.81 45.43 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.96 0.904 . . . . 72.21 110.76 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.487 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 32.1 t70 -123.07 102.98 8.29 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.522 0.729 . . . . 75.34 110.02 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.71 147.7 12.65 Favored Glycine 0 N--CA 1.48 1.608 0 CA-C-O 119.899 -0.39 . . . . 52.21 112.272 -172.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.47 -163.98 52.85 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 117.368 0.584 . . . . 72.54 113.964 -176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.24 107.74 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 123.551 0.74 . . . . 63.31 109.595 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.502 HG23 HG22 ' A' ' 60' ' ' VAL . 12.3 p -87.63 151.65 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 CA-C-O 121.229 0.538 . . . . 62.22 112.131 -176.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 t -69.74 150.47 46.9 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.904 0.882 . . . . 72.02 110.614 169.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.9 m -61.15 -29.48 69.81 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.327 0.651 . . . . 75.14 111.983 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.452 ' HB2' ' HG2' ' A' ' 58' ' ' LYS . 4.2 m-20 -82.47 -18.39 41.89 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.929 0.892 . . . . 71.03 111.873 178.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.13 22.55 78.5 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 113.736 0.254 . . . . 75.15 113.736 -173.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' HG2' ' HB2' ' A' ' 56' ' ' ASP . 11.3 ptmm? -82.62 -34.97 27.4 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.879 0.872 . . . . 70.41 112.29 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 p -145.34 148.33 33.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.446 1.098 . . . . 73.0 110.634 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.502 HG22 HG23 ' A' ' 53' ' ' VAL . 47.1 t -124.27 123.15 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.601 0.76 . . . . 74.34 109.642 174.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.7 m -71.64 110.41 6.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.229 0.612 . . . . 73.21 110.062 169.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.94 146.26 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.437 1.095 . . . . 73.33 109.465 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.6 m -122.13 144.16 49.11 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 109.021 -0.733 . . . . 74.24 109.021 172.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -68.54 113.33 5.98 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 120.946 0.403 . . . . 75.34 110.973 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.56 141.33 47.66 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.395 0.678 . . . . 41.14 111.166 -171.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.18 17.94 1.52 Allowed 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 112.765 0.654 . . . . 55.54 112.765 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -149.97 -173.14 4.34 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.101 0.96 . . . . 71.25 111.111 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -83.03 -0.08 47.24 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 114.56 1.319 . . . . 64.45 114.56 -171.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -55.16 -37.84 67.52 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 112.737 0.643 . . . . 75.22 112.737 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -118.58 5.79 11.66 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.773 0.829 . . . . 72.24 112.066 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -75.63 102.81 5.48 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.666 -0.865 . . . . 72.53 108.666 167.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.626 HG13 HG23 ' A' ' 48' ' ' THR . 74.9 t -87.86 119.73 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 123.969 0.908 . . . . 52.0 111.147 -167.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 55.6 t -101.92 106.37 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 108.994 -0.743 . . . . 73.11 108.994 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 mm -84.21 111.3 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.716 -0.846 . . . . 55.23 108.716 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -85.1 131.71 34.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.817 0.447 . . . . 73.51 110.01 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.7 mt -126.06 167.83 14.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.546 1.138 . . . . 63.01 109.838 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -151.54 167.22 28.73 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.201 1.0 . . . . 70.25 108.87 171.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -72.39 115.58 11.81 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 121.116 0.484 . . . . 72.25 111.129 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.43 ' HA3' ' HB2' ' A' ' 44' ' ' GLU . . . -116.06 12.08 17.27 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 115.518 -0.765 . . . . 65.04 111.561 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.515 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . 59.2 tp -157.97 134.07 9.35 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.334 1.453 . . . . 62.42 108.564 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -72.12 157.75 37.2 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.95 0.5 . . . . 72.25 110.285 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -64.15 85.15 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.619 0.768 . . . . 74.42 112.182 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -121.61 114.57 21.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.785 1.234 . . . . 63.04 108.576 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -155.12 128.27 8.27 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 122.789 0.436 . . . . 64.22 112.042 -170.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -96.37 -43.65 7.57 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.018 0.927 . . . . 71.53 110.124 174.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -116.23 154.77 29.51 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.016 0.926 . . . . 74.43 110.521 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.5 t60 . . . . . 0 N--CA 1.487 1.414 0 C-N-CA 123.349 0.66 . . . . 72.33 110.794 178.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptm . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.066 0.46 . . . . 74.51 111.674 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.59 113.4 6.84 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 109.751 -0.463 . . . . 73.23 109.751 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -97.53 152.99 18.45 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.249 0.547 . . . . 63.42 111.844 -173.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.456 ' HB3' HG22 ' A' ' 26' ' ' THR . 0.6 OUTLIER -115.2 165.08 13.32 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.709 0.803 . . . . 73.22 112.04 -178.732 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.21 131.56 20.86 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.642 1.177 . . . . 75.55 109.794 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 p -101.88 146.83 27.29 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.15 0.58 . . . . 74.42 111.449 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.8 mp -116.33 118.13 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 108.699 -0.852 . . . . 53.3 108.699 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -110.09 108.53 18.75 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.102 0.961 . . . . 71.21 110.771 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.69 131.48 37.73 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.817 0.447 . . . . 62.32 110.196 171.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -131.08 157.93 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.852 0.861 . . . . 71.33 110.937 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -116.91 98.49 6.52 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.88 0.872 . . . . 70.22 109.421 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.15 -20.99 63.34 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.355 1.462 . . . . 71.33 113.195 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.35 -29.06 69.66 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.791 0.836 . . . . 53.02 110.943 173.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -119.37 30.72 6.96 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.094 0.958 . . . . 73.13 110.816 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.43 40.67 91.35 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.854 -0.612 . . . . 62.5 114.503 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.42 46.01 7.12 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 114.346 0.498 . . . . 74.44 114.346 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.57 125.36 29.09 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.302 0.641 . . . . 54.01 111.2 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.16 124.79 21.35 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.287 0.565 . . . . 75.11 112.183 -173.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.4 t -100.54 112.96 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 123.657 0.783 . . . . 51.31 110.052 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.72 -110.36 3.05 Favored Glycine 0 CA--C 1.54 1.644 0 N-CA-C 114.111 0.405 . . . . 40.02 114.111 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -143.54 157.93 44.05 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.368 0.667 . . . . 74.1 111.611 -171.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.3 mm -85.25 135.21 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.744 0.817 . . . . 71.14 110.63 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 35.3 t -104.31 105.03 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.142 0.577 . . . . 41.24 110.957 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 m -92.0 127.08 37.34 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 122.069 -0.394 . . . . 65.53 110.331 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.3 m -123.16 144.96 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.045 0.938 . . . . 72.5 109.987 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 4' ' ' ASP . 22.3 p -112.05 151.36 29.45 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 123.099 0.56 . . . . 71.12 112.297 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.88 -134.08 2.34 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 115.796 -0.638 . . . . 50.03 113.62 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -133.28 138.93 46.64 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 122.22 -0.577 . . . . 54.21 111.273 -166.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 m -43.37 -51.33 6.48 Favored 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 125.224 1.409 . . . . 74.54 113.673 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -76.32 -32.52 58.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.278 0.631 . . . . 74.12 112.487 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -83.86 146.28 28.17 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.759 0.651 . . . . 72.01 112.759 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 p -107.2 138.01 44.2 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.515 -0.766 . . . . 65.15 109.75 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 61' ' ' THR . 14.3 t -97.72 161.48 13.74 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 123.84 0.856 . . . . 73.11 111.108 175.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.606 HG22 HG22 ' A' ' 61' ' ' THR . 58.6 p -111.6 111.78 23.02 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 121.2 0.524 . . . . 35.45 110.07 174.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.83 126.35 53.72 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.662 0.785 . . . . 74.44 109.074 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -80.25 135.53 36.27 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.849 0.357 . . . . 74.53 110.892 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.6 t -75.26 126.52 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 C-N-CA 123.586 0.754 . . . . 74.03 110.133 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 m -105.24 105.47 15.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.868 0.867 . . . . 65.22 108.917 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.3 mm -86.71 113.7 54.32 Favored Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 123.391 0.676 . . . . 64.23 110.558 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -75.96 156.09 38.72 Favored 'Trans proline' 0 C--N 1.372 1.788 0 C-N-CA 122.355 2.036 . . . . 50.4 112.602 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.8 136.29 56.73 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.425 0.69 . . . . 63.2 111.297 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.84 -25.53 23.1 Favored Glycine 0 N--CA 1.478 1.473 0 CA-C-N 116.462 -0.335 . . . . 61.42 113.472 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -100.05 144.66 28.83 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.667 0.787 . . . . 70.25 110.051 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.3 133.07 52.76 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.74 0.816 . . . . 75.03 109.542 -173.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -67.64 116.79 8.75 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.29 1.036 . . . . 70.13 112.626 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.705 HG22 ' HD2' ' A' ' 77' ' ' LYS . 48.7 t -81.55 -55.38 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-O 121.628 0.728 . . . . 75.13 109.461 173.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.59 -170.55 42.31 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 114.782 -1.099 . . . . 72.43 112.436 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.5 m -126.3 134.02 51.24 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.64 0.776 . . . . 72.4 110.739 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -121.34 121.1 36.91 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.962 0.905 . . . . 62.53 109.242 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.39 148.99 23.8 Favored Glycine 0 N--CA 1.479 1.539 0 N-CA-C 112.223 -0.351 . . . . 64.12 112.223 -172.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.31 -155.72 46.24 Favored Glycine 0 CA--C 1.535 1.327 0 CA-C-N 117.066 0.433 . . . . 65.23 113.218 -174.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.5 t -125.63 108.79 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.752 -0.833 . . . . 74.41 108.752 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -75.11 144.49 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 O-C-N 122.136 -0.352 . . . . 54.13 110.415 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.5 t -58.28 155.27 11.86 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.857 0.863 . . . . 62.25 112.212 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.5 p -64.39 -24.73 67.74 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.19 0.596 . . . . 71.51 111.643 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.36 -19.43 42.75 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.778 0.831 . . . . 73.14 111.771 175.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.34 3.07 56.49 Favored Glycine 0 CA--C 1.542 1.732 0 CA-C-N 116.431 -0.349 . . . . 71.43 113.846 -172.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -79.2 -37.36 38.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.618 0.767 . . . . 74.04 111.894 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.5 p -121.42 162.77 19.85 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.48 0.712 . . . . 64.43 110.597 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.511 HG11 HG11 ' A' ' 72' ' ' VAL . 68.0 t -128.96 132.36 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.142 0.977 . . . . 54.35 108.944 171.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.606 HG22 HG22 ' A' ' 34' ' ' THR . 69.9 p -93.27 106.47 18.43 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 122.683 0.393 . . . . 70.33 110.069 172.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 mp -99.8 129.1 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.999 0.52 . . . . 72.54 109.998 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.4 m -99.79 138.9 36.23 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.687 -0.486 . . . . 75.02 109.687 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -82.03 137.35 35.1 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.49 0.716 . . . . 71.41 112.453 -168.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.47 147.62 41.59 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.66 0.784 . . . . 62.15 111.135 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.04 -23.23 60.56 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.429 0.692 . . . . 63.44 111.632 173.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -85.27 172.43 11.14 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.944 0.898 . . . . 75.54 111.338 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.88 26.05 0.53 Allowed 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 124.029 0.932 . . . . 72.24 111.958 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.0 m -93.21 -9.1 40.43 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.073 0.949 . . . . 63.21 111.232 168.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.16 -38.79 90.35 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.77 1.228 . . . . 64.33 112.56 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -75.9 130.04 37.89 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.898 -1.046 . . . . 73.52 113.661 -166.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.511 HG11 HG11 ' A' ' 60' ' ' VAL . 73.1 t -100.94 128.75 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 114.83 -1.077 . . . . 71.14 110.083 177.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.7 t -94.99 107.63 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.684 0.794 . . . . 73.42 109.614 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.0 mm -86.75 115.66 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.967 -0.753 . . . . 71.23 108.967 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -89.84 132.28 35.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.449 0.7 . . . . 61.13 111.755 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.6 mt -130.93 166.22 21.42 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.868 1.267 . . . . 42.5 109.621 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.705 ' HD2' HG22 ' A' ' 46' ' ' VAL . 13.6 ptmm? -157.63 150.78 23.38 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.898 0.479 . . . . 64.22 109.845 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -72.96 120.95 19.29 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 122.049 -0.407 . . . . 75.43 110.406 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -168.85 141.7 6.91 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 119.411 -0.66 . . . . 75.1 112.589 -174.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.6 tp 60.76 43.86 11.72 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 122.426 1.108 . . . . 61.23 108.991 -171.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.89 144.98 34.4 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.707 -1.133 . . . . 61.12 111.553 -169.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -91.31 153.93 19.59 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.149 0.98 . . . . 63.33 112.047 -165.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -75.74 133.52 40.71 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.791 -0.448 . . . . 55.14 109.791 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 62.63 35.69 14.08 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 124.58 1.152 . . . . 52.52 110.564 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -71.4 132.16 44.4 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 115.467 -0.788 . . . . 73.55 112.562 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.4 m170 29.36 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 126.663 1.985 . . . . 63.13 115.019 167.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 . . . . . 0 N--CA 1.485 1.284 0 C-N-CA 123.298 0.639 . . . . 74.34 112.121 -178.595 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 112.588 0.588 . . . . 73.4 112.588 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.03 117.26 33.14 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.977 0.911 . . . . 74.11 110.816 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -91.89 163.68 13.94 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.938 0.895 . . . . 63.41 111.214 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -121.97 141.92 50.84 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.473 0.709 . . . . 74.25 111.255 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.45 138.05 51.21 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.384 1.074 . . . . 73.13 110.766 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -115.11 129.12 56.6 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.438 0.695 . . . . 65.4 111.685 -174.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.426 HD12 ' HB ' ' A' ' 72' ' ' VAL . 25.4 mm -94.0 113.04 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.568 -0.901 . . . . 74.51 108.568 172.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.5 m -110.41 102.08 10.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.22 1.008 . . . . 54.2 110.247 -171.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -77.28 120.24 22.04 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.494 -0.558 . . . . 73.03 109.494 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.479 ' HB ' ' HA2' ' A' ' 16' ' ' GLY . 27.4 m -119.45 144.28 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.191 0.597 . . . . 64.24 110.807 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.47 90.1 5.06 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.615 -0.883 . . . . 72.0 108.615 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.15 -31.24 67.03 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.978 1.311 . . . . 71.23 111.744 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 77' ' ' LYS . 13.8 t70 -64.56 -22.4 66.96 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.907 0.883 . . . . 72.42 111.319 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -113.86 23.08 13.36 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.228 1.011 . . . . 74.21 110.735 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.58 26.16 70.71 Favored Glycine 0 N--CA 1.482 1.761 0 N-CA-C 115.193 0.837 . . . . 72.44 115.193 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.479 ' HA2' ' HB ' ' A' ' 10' ' ' VAL . . . 94.74 101.38 1.75 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 122.799 0.238 . . . . 52.43 113.35 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.41 132.99 19.8 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.778 0.831 . . . . 74.04 109.896 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -63.22 117.27 6.33 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.57 0.7 . . . . 74.41 112.399 -173.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.3 t -124.27 144.84 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 125.108 1.363 . . . . 74.12 109.586 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.56 -113.37 4.8 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 114.466 0.547 . . . . 60.34 114.466 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -121.78 146.32 47.18 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 113.173 0.805 . . . . 73.15 113.173 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mt -96.76 111.61 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 108.149 -1.056 . . . . 73.31 108.149 162.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -100.39 102.26 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-O 120.782 0.325 . . . . 74.43 110.559 -174.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -96.63 112.27 24.08 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.087 0.555 . . . . 72.54 110.666 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.34 152.79 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.416 0.686 . . . . 41.42 110.13 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -123.61 147.2 47.57 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 122.812 0.445 . . . . 73.24 111.878 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.16 171.23 36.91 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 116.084 -0.507 . . . . 32.13 112.309 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -92.67 160.81 14.82 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 117.496 0.648 . . . . 63.13 109.743 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.6 t -55.0 -28.14 49.61 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 114.916 1.45 . . . . 74.25 114.916 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.43 -28.08 61.79 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.682 0.793 . . . . 52.21 111.551 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -90.28 132.18 35.68 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.725 0.81 . . . . 51.44 111.426 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.7 p -119.37 139.83 51.36 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.7 0.8 . . . . 73.41 109.582 172.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -126.52 162.32 25.91 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.27 1.028 . . . . 74.3 110.179 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -125.65 113.95 18.05 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.116 0.484 . . . . 74.41 110.995 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -92.13 136.02 33.52 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.25 1.02 . . . . 72.15 110.288 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.2 m -89.83 118.81 29.69 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.539 0.335 . . . . 70.0 110.141 174.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.5 t -75.3 126.21 35.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 123.95 0.9 . . . . 40.11 110.954 -175.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.2 m -113.04 102.79 10.74 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.549 1.14 . . . . 73.34 109.848 -173.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.66 HD12 HD21 ' A' ' 76' ' ' LEU . 23.4 mm -88.96 118.52 69.32 Favored Pre-proline 0 N--CA 1.484 1.254 0 C-N-CA 122.928 0.491 . . . . 72.33 110.578 -178.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -62.46 135.93 56.21 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.603 2.202 . . . . 70.44 112.29 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -64.96 136.47 56.85 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 122.945 0.498 . . . . 70.12 111.039 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.16 -20.66 39.88 Favored Glycine 0 N--CA 1.478 1.444 0 CA-C-N 116.135 -0.484 . . . . 75.22 112.385 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -107.04 146.47 31.12 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.253 1.021 . . . . 74.41 109.547 175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -111.0 137.48 48.58 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.041 0.448 . . . . 73.4 110.492 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -66.71 107.99 2.33 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.039 0.936 . . . . 75.12 111.195 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.6 t -81.21 -42.66 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-O 121.363 0.601 . . . . 72.52 109.429 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.05 -177.06 38.4 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.163 -0.926 . . . . 64.42 113.344 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.1 m -111.8 141.85 44.91 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.322 1.049 . . . . 54.34 110.437 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -125.96 119.24 27.2 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.854 0.861 . . . . 64.52 109.259 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.53 154.56 31.13 Favored Glycine 0 N--CA 1.482 1.732 0 CA-C-N 117.758 0.254 . . . . 21.15 113.08 -175.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.65 -152.36 49.1 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 117.027 0.413 . . . . 63.21 113.406 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.454 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 91.0 t -128.93 105.74 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 123.3 0.64 . . . . 74.11 109.824 175.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.0 137.35 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 CA-C-O 121.242 0.544 . . . . 54.35 111.264 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.3 t -78.64 169.74 17.77 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.681 0.792 . . . . 73.21 111.583 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.0 p -57.14 -45.46 83.51 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.233 1.013 . . . . 64.42 113.671 -171.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -89.28 -3.23 58.6 Favored 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 123.051 0.54 . . . . 65.14 111.357 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.82 8.72 78.12 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 115.317 0.887 . . . . 71.13 115.317 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -76.97 -27.19 54.67 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.497 0.719 . . . . 61.34 112.813 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.6 p -135.89 141.86 44.62 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.493 0.717 . . . . 71.13 111.721 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 80.7 t -126.78 126.91 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.024 0.93 . . . . 74.32 110.066 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.454 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 68.6 m -75.12 125.67 29.43 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.429 0.691 . . . . 72.43 111.026 174.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.6 mt -101.07 114.93 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 125.049 1.34 . . . . 74.43 108.904 172.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 m -121.57 117.57 27.08 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.232 -0.655 . . . . 73.55 109.232 174.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -69.68 144.01 52.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.688 0.795 . . . . 74.43 111.237 -171.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.62 156.27 36.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.855 0.462 . . . . 62.3 111.904 -177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.13 -20.91 63.22 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.481 0.712 . . . . 50.21 111.855 169.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -97.64 130.37 44.66 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.124 0.969 . . . . 73.44 108.871 167.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -72.78 72.27 1.06 Allowed 'General case' 0 CA--C 1.568 1.654 0 CA-C-O 122.321 1.058 . . . . 74.21 112.54 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.8 m -111.56 5.04 19.17 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.322 1.049 . . . . 72.41 110.635 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.19 -17.66 15.87 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.24 1.416 . . . . 75.32 111.611 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -78.44 108.13 11.58 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.44 0.696 . . . . 74.25 109.296 175.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.426 ' HB ' HD12 ' A' ' 7' ' ' ILE . 66.0 t -101.67 119.04 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.32 0.648 . . . . 72.42 111.291 -171.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.1 t -99.73 111.39 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 C-N-CA 123.935 0.894 . . . . 72.34 110.339 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.1 mm -89.42 116.79 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.258 0.623 . . . . 70.12 109.972 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -89.55 125.25 35.14 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.231 0.613 . . . . 73.22 110.593 -178.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.66 HD21 HD12 ' A' ' 39' ' ' ILE . 88.3 mt -126.72 135.91 51.75 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.263 0.625 . . . . 72.41 111.72 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 13' ' ' ASP . 22.1 ptmt -100.62 171.51 7.66 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.285 0.634 . . . . 74.32 110.157 174.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -88.39 145.77 25.61 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.63 -0.508 . . . . 73.02 109.63 170.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.47 174.75 55.04 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 113.975 0.35 . . . . 74.02 113.975 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mp -83.87 34.46 0.5 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.761 0.824 . . . . 60.1 110.78 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -72.25 131.62 42.97 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.027 1.331 . . . . 72.12 109.324 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -71.96 86.09 1.0 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.229 0.537 . . . . 55.24 110.478 -178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -106.06 121.9 45.07 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.198 0.599 . . . . 73.25 111.004 -174.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -81.55 112.29 18.64 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.311 0.645 . . . . 74.53 109.801 172.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -63.27 110.64 1.96 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 123.241 0.616 . . . . 73.41 110.194 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -77.51 -58.42 3.28 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.337 0.655 . . . . 72.03 112.715 -171.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 121.598 0.713 . . . . 64.31 111.28 -178.254 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 mtt . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.416 -0.216 . . . . 75.12 110.416 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.0 105.52 4.5 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.509 -0.552 . . . . 73.04 109.509 171.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.562 ' HG3' HG23 ' A' ' 29' ' ' THR . 24.9 mm-40 -85.08 163.88 18.54 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.177 0.991 . . . . 73.4 110.749 -174.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -150.38 166.35 30.34 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 121.176 0.512 . . . . 52.12 112.113 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.07 144.64 31.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.261 1.024 . . . . 54.13 110.271 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.1 p -109.48 142.52 40.38 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.194 0.597 . . . . 74.43 111.442 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.521 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 48.4 mt -123.13 121.28 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 123.988 0.915 . . . . 73.03 110.779 -174.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -122.93 115.9 22.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.29 0.636 . . . . 62.34 110.969 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.09 140.74 34.9 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.994 0.518 . . . . 71.1 109.73 169.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.31 153.05 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.991 0.916 . . . . 71.13 110.106 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -112.33 102.34 10.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.738 0.815 . . . . 72.24 109.783 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . 21.6 t70 -56.55 -30.15 62.77 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.498 1.519 . . . . 75.33 112.185 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.8 -30.5 71.51 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.803 0.841 . . . . 72.25 111.646 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -110.07 45.15 1.13 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.147 0.979 . . . . 71.22 110.297 175.476 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.48 23.72 68.78 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.376 0.91 . . . . 72.44 115.376 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.75 39.17 6.69 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 116.955 0.378 . . . . 32.34 112.859 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.97 117.67 12.76 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.506 0.722 . . . . 65.42 111.887 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -60.13 127.71 33.21 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 123.384 0.674 . . . . 74.03 111.956 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -104.2 106.05 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.918 0.887 . . . . 74.23 108.918 -177.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.83 -160.12 48.35 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 116.864 -0.153 . . . . 73.24 112.917 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -106.51 177.03 4.98 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.314 0.646 . . . . 72.12 111.889 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.3 mt -81.05 125.3 39.45 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.329 0 CA-C-N 115.57 -0.741 . . . . 70.12 110.657 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 51.7 t -101.36 116.65 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.991 0.916 . . . . 75.43 110.173 -175.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 m -99.84 115.1 28.8 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.93 0.492 . . . . 71.22 110.877 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.496 HG23 ' HE1' ' A' ' 64' ' ' PHE . 20.9 m -104.51 141.1 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.243 0.617 . . . . 65.02 110.504 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -109.76 164.83 12.19 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 112.964 0.727 . . . . 75.15 112.964 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.92 -132.75 2.7 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.079 -0.509 . . . . 62.2 113.656 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' H ' ' A' ' 30' ' ' ASP . 5.4 tppp? -144.22 150.57 38.18 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.857 0.863 . . . . 71.42 109.901 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.562 HG23 ' HG3' ' A' ' 3' ' ' GLU . 21.2 p -47.28 -28.37 1.93 Allowed 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 114.373 1.249 . . . . 61.43 114.373 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.572 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 36.7 t70 -77.37 -38.9 49.14 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 123.536 0.734 . . . . 72.14 112.724 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.78 164.67 12.13 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 122.015 0.912 . . . . 75.53 112.784 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.4 p -131.57 162.13 31.03 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 114.421 -1.263 . . . . 74.11 111.058 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 t -137.62 161.06 37.47 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.056 0.942 . . . . 74.54 110.868 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.3 p -116.58 110.52 18.65 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.131 0.572 . . . . 72.54 109.958 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -83.21 141.17 32.1 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.066 0.947 . . . . 61.3 111.244 -177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -85.92 111.17 19.98 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.319 0.648 . . . . 70.33 110.198 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.2 t -82.76 110.43 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.399 0.68 . . . . 71.34 109.933 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.9 p -101.77 110.02 21.91 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.491 0.717 . . . . 74.35 110.249 -173.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.1 mm -91.37 114.83 63.01 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 123.954 0.901 . . . . 72.33 109.943 -175.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.41 167.71 23.18 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.701 2.267 . . . . 65.21 114.007 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -60.66 134.26 56.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.1 0.96 . . . . 53.02 112.354 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.35 -3.53 84.45 Favored Glycine 0 CA--C 1.54 1.639 0 CA-C-O 119.668 -0.518 . . . . 54.21 114.197 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -107.16 153.98 21.87 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.601 0.76 . . . . 74.01 111.374 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -128.72 137.28 51.51 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.956 1.302 . . . . 74.32 109.741 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.418 ' OH ' HG21 ' A' ' 53' ' ' VAL . 82.1 t80 -72.96 137.15 45.32 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.857 0.463 . . . . 72.43 111.971 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.05 -62.53 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 123.658 0.783 . . . . 64.05 111.318 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.86 -175.67 46.08 Favored Glycine 0 N--CA 1.482 1.714 0 N-CA-C 114.579 0.592 . . . . 43.31 114.579 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.5 m -132.85 141.4 48.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.103 0.961 . . . . 75.4 111.396 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.17 149.24 36.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.892 0.877 . . . . 54.31 109.77 170.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.0 -65.09 4.17 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 122.866 0.269 . . . . 42.12 113.388 -178.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.26 172.25 53.8 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 113.934 0.334 . . . . 44.33 113.934 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.83 112.11 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 123.858 0.863 . . . . 51.13 110.062 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.418 HG21 ' OH ' ' A' ' 45' ' ' TYR . 10.2 p -108.58 155.17 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.195 0.521 . . . . 54.02 112.149 -173.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p -84.02 157.07 21.96 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.629 0.772 . . . . 72.51 110.51 171.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.7 t -67.07 -23.42 65.86 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.51 0.724 . . . . 60.21 112.174 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.07 -20.72 64.98 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.845 0.683 . . . . 75.11 112.845 173.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.94 17.45 69.6 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 115.589 0.995 . . . . 23.22 115.589 174.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -102.37 -36.68 8.36 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.566 0.746 . . . . 74.33 111.296 177.223 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.7 p -114.07 126.38 55.04 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.234 0.614 . . . . 74.45 111.058 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.415 HG11 HG11 ' A' ' 72' ' ' VAL . 5.7 p -119.01 115.39 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.521 0.728 . . . . 74.34 109.675 169.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.8 m -71.68 116.85 12.53 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.333 0.653 . . . . 73.15 111.164 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.5 mt -105.62 121.85 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.687 1.195 . . . . 72.41 109.304 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 m -117.99 106.46 12.94 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.293 -0.632 . . . . 75.43 109.293 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.496 ' HE1' HG23 ' A' ' 25' ' ' VAL . 49.1 m-85 -54.95 135.9 47.99 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.336 1.054 . . . . 74.31 112.672 -169.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.28 136.14 23.38 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.654 0.382 . . . . 62.14 111.63 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.48 -10.31 57.5 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.469 0.708 . . . . 73.43 112.498 174.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -72.28 -29.26 63.71 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.857 0.863 . . . . 75.44 111.463 173.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 65.21 76.36 0.34 Allowed 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.482 1.113 . . . . 43.14 111.199 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.6 t -152.18 7.79 0.46 Allowed 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 123.892 0.877 . . . . 51.11 111.189 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -107.32 1.1 23.54 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.023 1.329 . . . . 52.14 111.072 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -66.55 137.42 56.76 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.968 1.307 . . . . 72.44 111.021 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.415 HG11 HG11 ' A' ' 60' ' ' VAL . 72.1 t -96.87 123.18 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 123.512 0.725 . . . . 72.25 111.775 -171.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.2 104.7 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.344 -0.613 . . . . 73.11 109.344 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.0 mm -85.47 135.97 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.469 0.707 . . . . 73.55 109.872 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -114.8 133.54 55.85 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.515 0.726 . . . . 75.13 110.397 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.3 mt -131.9 155.97 46.94 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.304 1.042 . . . . 72.24 110.834 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' A' ' 12' ' ' ASP . 45.2 mtpt -134.95 169.97 16.59 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.062 0.545 . . . . 74.04 110.148 171.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -96.78 135.46 38.7 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 122.205 -0.309 . . . . 72.13 111.114 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.34 -53.35 6.12 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 111.139 -0.785 . . . . 53.52 111.139 174.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.605 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.5 pt? -111.78 150.14 30.71 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.984 0.913 . . . . 70.41 109.999 168.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.3 178.05 4.67 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.395 0.678 . . . . 74.11 111.035 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -92.63 17.83 9.63 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.805 0.842 . . . . 73.33 111.109 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -129.85 145.71 51.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.144 0.977 . . . . 74.54 110.371 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -66.44 156.21 35.33 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.902 0.481 . . . . 73.33 111.573 175.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -58.7 123.67 17.15 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.896 0.878 . . . . 73.44 112.111 -170.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -88.0 115.26 25.34 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.415 0.686 . . . . 73.52 112.24 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.4 t60 . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 123.778 0.831 . . . . 72.01 110.704 178.581 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 110.213 -0.291 . . . . 62.22 110.213 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -82.89 112.44 19.69 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.342 0.592 . . . . 75.42 111.298 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.559 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -101.27 162.41 12.91 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.28 0.632 . . . . 64.13 111.372 -179.068 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -120.86 167.68 12.27 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.374 0.67 . . . . 71.25 112.228 -174.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.28 135.04 38.64 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.044 0.938 . . . . 71.34 110.045 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -102.28 126.01 49.15 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.61 0.764 . . . . 70.01 110.465 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.614 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mp -106.34 108.82 26.04 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.777 0.831 . . . . 53.32 109.069 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.9 m -121.04 118.13 29.0 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.569 0.748 . . . . 45.52 110.387 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.449 ' HD2' HD11 ' A' ' 76' ' ' LEU . 11.7 m-85 -74.21 144.69 44.62 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.478 0.711 . . . . 62.13 109.25 171.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.8 m -142.32 135.46 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 C-N-CA 123.165 0.586 . . . . 73.13 111.734 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.37 116.1 16.74 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.992 0.517 . . . . 70.44 109.994 165.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.18 -25.22 68.24 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 123.414 0.685 . . . . 62.41 110.508 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.03 -20.2 63.27 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.83 1.252 . . . . 64.52 112.209 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -107.14 16.68 23.86 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.414 0.686 . . . . 73.24 110.584 -178.024 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.91 34.97 71.8 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 116.377 -0.374 . . . . 74.4 113.563 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.02 30.38 38.46 Favored Glycine 0 CA--C 1.54 1.625 0 N-CA-C 114.279 0.472 . . . . 54.21 114.279 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 14' ' ' LYS . . . -98.46 155.28 17.33 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.489 0.716 . . . . 62.0 111.52 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.04 138.74 57.4 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 115.554 1.687 . . . . 63.41 115.554 -164.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.39 129.96 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.724 1.21 . . . . 71.32 109.784 167.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.91 -106.05 2.0 Allowed Glycine 0 CA--C 1.535 1.338 0 N-CA-C 114.205 0.442 . . . . 61.44 114.205 170.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -154.45 153.75 32.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.083 0.553 . . . . 74.32 111.333 -173.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt -80.96 137.11 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.641 0.776 . . . . 73.51 110.751 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.614 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 39.6 t -105.9 147.55 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 124.287 1.035 . . . . 72.05 109.026 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -133.7 120.93 21.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.679 -0.638 . . . . 73.22 110.307 175.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.0 m -110.81 142.35 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.208 0.603 . . . . 72.51 110.372 174.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.7 p -121.97 137.78 54.67 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 123.461 0.704 . . . . 72.12 110.997 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.72 -142.63 3.53 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 116.25 -0.432 . . . . 63.42 112.305 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -129.23 144.44 51.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.049 0.54 . . . . 75.44 110.805 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -53.68 -33.34 55.06 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.418 1.266 . . . . 60.42 114.418 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.22 -31.61 71.23 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 123.428 0.691 . . . . 74.33 111.976 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -98.55 162.89 12.9 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.43 0.692 . . . . 63.42 111.688 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.0 p -132.67 155.44 48.77 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.779 0.799 . . . . 52.53 111.215 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 t -132.0 162.11 31.52 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.883 1.273 . . . . 71.32 109.947 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 m -123.96 127.49 48.03 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 120.946 0.403 . . . . 72.33 111.209 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -113.64 130.93 56.31 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.346 1.058 . . . . 74.22 109.866 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -89.9 141.2 28.87 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.075 0.464 . . . . 75.44 111.39 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.485 HG22 HD13 ' A' ' 74' ' ' ILE . 61.1 t -77.3 132.68 32.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.195 0.998 . . . . 73.12 109.767 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.9 p -103.13 106.76 17.34 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.836 0.854 . . . . 74.35 109.187 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.8 mm -93.74 109.53 41.85 Favored Pre-proline 0 N--CA 1.482 1.134 0 C-N-CA 123.507 0.723 . . . . 74.32 110.333 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.16 145.58 24.56 Favored 'Trans proline' 0 C--N 1.373 1.82 0 C-N-CA 122.172 1.915 . . . . 64.12 112.589 174.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.88 115.51 3.75 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.672 0.789 . . . . 71.51 110.849 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.92 -21.89 9.37 Favored Glycine 0 N--CA 1.479 1.534 0 C-N-CA 123.251 0.453 . . . . 74.45 112.135 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -108.98 157.91 18.21 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.444 1.098 . . . . 72.01 109.497 172.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.56 143.49 37.37 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 109.267 -0.642 . . . . 73.23 109.267 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -71.09 131.38 43.52 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.762 0.825 . . . . 72.44 112.952 -173.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.0 t -101.77 -60.84 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.617 0.767 . . . . 73.24 110.382 171.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.06 -164.82 29.73 Favored Glycine 0 N--CA 1.475 1.249 0 CA-C-N 116.513 -0.312 . . . . 64.22 113.332 -173.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -147.99 141.08 24.97 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.053 0.941 . . . . 73.34 110.595 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.405 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 31.7 t70 -121.52 151.33 40.42 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.792 1.237 . . . . 54.21 110.328 -176.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.44 -68.7 3.48 Favored Glycine 0 N--CA 1.477 1.376 0 N-CA-C 113.886 0.315 . . . . 70.43 113.886 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.561 ' HA3' HG22 ' A' ' 72' ' ' VAL . . . -76.72 153.55 42.44 Favored Glycine 0 CA--C 1.536 1.403 0 CA-C-O 119.928 -0.373 . . . . 34.44 112.222 175.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.95 107.24 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 117.231 0.516 . . . . 73.34 110.224 -173.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.401 HG23 HG22 ' A' ' 60' ' ' VAL . 11.5 p -91.62 147.1 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 C-N-CA 123.426 0.69 . . . . 73.31 111.684 -174.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.8 p -73.2 172.65 10.72 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.718 0.807 . . . . 73.31 112.388 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.0 t -65.62 -33.64 76.38 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.74 0.816 . . . . 54.34 112.035 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.18 -18.04 35.32 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.493 0.717 . . . . 72.01 111.839 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.69 -20.96 28.75 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 115.145 0.818 . . . . 72.43 115.145 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -67.16 -42.86 83.6 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 117.505 0.652 . . . . 72.42 112.117 -174.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.1 p -106.19 121.75 44.82 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.004 0.522 . . . . 73.44 111.318 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.401 HG22 HG23 ' A' ' 53' ' ' VAL . 46.5 t -112.55 114.04 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.123 0.969 . . . . 74.33 109.762 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.1 m -82.99 112.12 19.47 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.438 0.637 . . . . 51.23 110.485 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 mt -93.12 123.51 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 C-N-CA 124.469 1.108 . . . . 73.31 109.986 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.1 m -122.62 111.06 16.31 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 109.597 -0.52 . . . . 75.24 109.597 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 53.9 m-85 -58.43 156.76 9.81 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.845 1.258 . . . . 74.14 112.349 -174.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.66 152.51 30.91 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 112.281 0.474 . . . . 73.13 112.281 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.65 -24.79 67.93 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.857 0.863 . . . . 72.24 111.369 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -107.53 107.75 18.74 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.119 0.967 . . . . 73.22 108.693 168.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.548 ' HB2' HD21 ' A' ' 71' ' ' ASN . 5.2 p-10 -70.5 91.98 0.81 Allowed 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 122.114 0.959 . . . . 55.14 113.505 -168.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 t -125.96 12.59 7.82 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.526 1.131 . . . . 65.31 109.536 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -105.98 -4.66 20.3 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.2 1.4 . . . . 75.13 112.419 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.548 HD21 ' HB2' ' A' ' 68' ' ' ASP . 36.4 m-80 -66.27 132.82 49.27 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.379 0.671 . . . . 75.35 110.525 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.561 HG22 ' HA3' ' A' ' 51' ' ' GLY . 64.0 t -99.57 119.32 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.316 0.647 . . . . 73.22 110.887 -171.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 87.9 t -111.37 99.94 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.717 0.807 . . . . 62.02 108.969 175.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 37' ' ' VAL . 68.6 mt -85.53 115.34 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.846 0.458 . . . . 53.32 110.149 -175.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -85.43 131.23 34.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.653 0.781 . . . . 74.33 111.351 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.449 HD11 ' HD2' ' A' ' 9' ' ' TYR . 86.5 mt -133.89 148.62 51.27 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.68 1.192 . . . . 74.44 110.732 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -112.95 172.41 6.95 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.591 0.757 . . . . 72.14 109.487 167.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -85.59 129.62 34.78 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.915 -0.772 . . . . 75.53 108.915 165.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.28 -115.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.698 -0.501 . . . . 61.41 112.471 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.0 mt 55.57 27.01 9.78 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.145 0.978 . . . . 54.14 111.847 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.91 82.34 2.81 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.499 0.72 . . . . 75.05 111.125 -172.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -86.2 65.86 9.28 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.882 0.873 . . . . 74.1 109.786 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -142.91 158.35 43.7 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.294 1.038 . . . . 71.35 110.326 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -83.38 83.6 7.82 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 109.298 -0.63 . . . . 55.13 109.298 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -125.1 78.2 1.69 Allowed 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.106 0.479 . . . . 63.14 112.006 -172.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 47.92 74.13 0.18 Allowed 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 125.27 1.428 . . . . 73.33 113.343 173.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 N--CA 1.49 1.564 0 C-N-CA 123.846 0.858 . . . . 73.44 111.591 -177.759 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.7 mtm . . . . . 0 N--CA 1.498 1.944 0 CA-C-O 119.948 -0.072 . . . . 54.55 111.105 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -60.34 113.73 2.55 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 109.304 -0.628 . . . . 71.34 109.304 170.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -87.35 140.02 29.97 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.199 -0.455 . . . . 75.43 111.54 -160.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -116.7 131.66 56.89 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.12 0.568 . . . . 62.42 111.081 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.77 130.37 56.82 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.981 0.912 . . . . 64.3 109.345 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.4 t -111.85 139.59 47.21 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.291 0.567 . . . . 72.02 111.725 -173.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.66 109.76 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 123.933 0.893 . . . . 61.24 109.233 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -101.67 112.33 24.88 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.257 1.023 . . . . 73.4 110.644 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -82.86 120.54 25.78 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.637 0.375 . . . . 71.33 110.158 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.8 m -123.06 150.95 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-O 121.859 0.837 . . . . 75.51 111.358 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -93.41 97.84 10.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.793 1.237 . . . . 71.4 108.054 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.41 -27.91 68.88 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.33 1.052 . . . . 70.32 112.624 -173.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -86.8 -8.71 57.09 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.417 0.687 . . . . 70.15 112.774 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -114.49 39.68 2.74 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.56 0.695 . . . . 74.24 109.949 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.08 23.81 68.16 Favored Glycine 0 N--CA 1.483 1.777 0 N-CA-C 114.951 0.74 . . . . 74.14 114.951 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.02 41.73 26.59 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-O 120.155 -0.247 . . . . 71.51 113.458 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.44 133.84 39.73 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.298 0.639 . . . . 72.4 112.009 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -60.5 124.24 19.77 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.043 0.449 . . . . 70.2 112.033 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.69 106.4 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 124.451 1.1 . . . . 72.34 109.626 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.46 -109.49 2.86 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 116.694 -0.23 . . . . 44.14 113.438 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -137.69 165.33 26.65 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.788 0.835 . . . . 73.35 111.485 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.6 mt -95.39 140.96 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.945 0.898 . . . . 44.2 111.355 -174.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -103.18 101.77 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.302 0.641 . . . . 72.14 110.621 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.4 m -99.64 134.43 42.54 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 122.897 0.479 . . . . 65.41 110.59 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.3 m -123.54 151.24 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 123.739 0.816 . . . . 63.12 110.794 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.2 p -112.36 155.99 23.22 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.454 0.702 . . . . 51.41 111.709 -177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.96 -126.67 1.1 Allowed Glycine 0 C--N 1.343 0.962 0 CA-C-N 115.625 -0.716 . . . . 74.01 111.754 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -159.16 150.86 20.56 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 117.382 0.591 . . . . 71.44 109.663 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.482 HG22 ' HA ' ' A' ' 65' ' ' ALA . 49.6 p -51.16 -39.68 56.9 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 114.232 1.197 . . . . 74.32 114.232 -176.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.62 -29.51 64.75 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.515 0.726 . . . . 71.21 111.548 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.89 157.22 19.57 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.016 0.926 . . . . 75.11 112.106 -176.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.6 p -145.7 159.02 43.77 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 115.385 -0.825 . . . . 74.24 111.081 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -150.26 162.0 41.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.878 0.871 . . . . 61.01 111.183 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.2 p -104.04 125.83 50.69 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.448 0.699 . . . . 74.04 110.053 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -113.22 128.29 56.43 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.064 0.946 . . . . 62.01 109.925 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 m -84.24 131.17 34.77 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 110.307 -0.257 . . . . 72.32 110.307 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.24 134.76 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.849 0.86 . . . . 72.25 110.893 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m -110.29 115.99 30.67 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.907 0.883 . . . . 71.44 110.279 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.7 mm -99.95 114.96 65.91 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 123.315 0.646 . . . . 72.21 110.045 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.32 159.72 50.97 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.254 1.969 . . . . 73.33 113.186 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.84 138.77 58.58 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.316 0.646 . . . . 74.13 111.316 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.85 -0.04 89.87 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 115.881 -0.6 . . . . 63.41 113.51 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -113.49 160.61 18.29 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.818 0.847 . . . . 73.54 111.457 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HB2' ' HB2' ' A' ' 77' ' ' LYS . 37.8 mt-10 -127.57 157.09 41.11 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.839 1.256 . . . . 74.13 109.266 176.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -82.63 130.2 35.08 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 118.097 0.408 . . . . 72.11 111.274 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.538 HG22 ' HG3' ' A' ' 77' ' ' LYS . 69.9 t -99.21 -65.16 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 123.409 0.683 . . . . 73.44 110.592 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.78 168.22 40.06 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 115.837 -0.62 . . . . 61.25 113.554 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.503 HG23 HG13 ' A' ' 72' ' ' VAL . 22.2 m -107.88 132.87 53.0 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.85 0.86 . . . . 60.1 110.895 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 38.8 t70 -115.3 150.16 36.7 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.96 0.904 . . . . 70.42 110.359 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.77 -72.2 2.87 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 122.606 0.146 . . . . 72.35 113.277 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.689 ' HA3' HG22 ' A' ' 72' ' ' VAL . . . -84.22 -173.11 49.61 Favored Glycine 0 N--CA 1.475 1.268 0 N-CA-C 114.332 0.493 . . . . 34.1 114.332 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.493 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 30.8 t -94.57 138.08 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.462 0.705 . . . . 71.51 110.353 -177.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -113.41 147.79 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.25 0.62 . . . . 72.24 111.741 -177.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 t -66.51 165.3 14.77 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.881 0.872 . . . . 71.2 112.042 171.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.8 t -61.57 -32.43 72.52 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.886 0.874 . . . . 53.44 111.847 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.45 -19.16 33.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.604 0.762 . . . . 74.24 112.455 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.35 14.4 71.68 Favored Glycine 0 N--CA 1.486 1.986 0 CA-C-O 121.364 0.425 . . . . 41.13 113.173 -165.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -84.84 -43.13 14.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.155 1.382 . . . . 71.25 111.157 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.0 p -123.43 164.72 18.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.197 0.999 . . . . 74.54 110.149 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.0 m -133.56 133.55 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.448 1.099 . . . . 75.45 109.972 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.493 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 50.5 m -78.5 104.41 9.08 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.228 0.611 . . . . 62.31 110.309 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.0 mm -85.84 105.0 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.303 0.641 . . . . 61.23 109.578 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.8 m -117.23 120.59 38.72 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.091 -1.078 . . . . 75.22 108.091 173.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -70.06 148.15 49.15 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.41 0.684 . . . . 73.13 111.264 -171.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.482 ' HA ' HG22 ' A' ' 29' ' ' THR . . . -153.39 155.28 36.09 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.53 0.732 . . . . 64.32 110.446 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.99 32.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 122.81 0.444 . . . . 72.25 111.251 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -132.36 -161.03 1.1 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.421 1.088 . . . . 65.32 110.834 -168.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -105.44 -1.07 25.41 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.116 0.966 . . . . 73.14 111.048 171.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.2 t -77.37 -19.93 55.51 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.316 1.046 . . . . 71.04 112.389 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.86 -21.88 31.85 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.104 0.962 . . . . 74.52 110.925 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -68.52 124.27 23.13 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.822 0.849 . . . . 64.41 109.711 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.689 HG22 ' HA3' ' A' ' 51' ' ' GLY . 96.6 t -111.03 118.82 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.004 0.922 . . . . 64.21 110.17 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 47.8 t -108.09 110.14 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.457 0.703 . . . . 72.0 109.863 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 43.7 mm -89.33 115.22 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.531 0.733 . . . . 44.31 109.962 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -91.66 134.87 34.32 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.265 0.626 . . . . 72.14 109.981 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.5 mt -128.17 138.51 52.52 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.712 0.634 . . . . 51.34 112.712 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.538 ' HG3' HG22 ' A' ' 46' ' ' VAL . 6.7 mtpm? -93.14 172.24 8.43 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.617 0.767 . . . . 73.22 111.006 173.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -100.08 142.78 31.09 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.289 -0.869 . . . . 75.24 110.775 166.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.19 -162.68 29.57 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 111.109 -0.796 . . . . 72.52 111.109 167.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.5 mt -91.9 107.64 19.36 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.246 0.523 . . . . 74.31 110.48 173.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -78.39 159.84 28.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.969 0.507 . . . . 73.35 111.325 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -91.16 124.13 35.14 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.673 -1.232 . . . . 72.12 107.673 164.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -50.38 110.17 0.38 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.35 1.06 . . . . 73.42 112.0 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -133.5 139.14 46.47 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.373 0.669 . . . . 71.05 111.893 -170.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -86.38 98.35 10.95 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.425 0.69 . . . . 72.43 109.83 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -138.97 135.91 34.84 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.205 0.602 . . . . 75.11 111.237 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.3 t60 . . . . . 0 N--CA 1.484 1.249 0 C-N-CA 123.66 0.784 . . . . 63.15 110.665 177.172 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.8 mtp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.684 0.278 . . . . 71.23 110.515 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -88.36 121.5 30.82 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.561 -0.903 . . . . 74.51 108.561 171.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -84.17 139.88 32.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.365 0.266 . . . . 72.11 111.39 -164.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -116.09 168.2 10.31 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.639 0.607 . . . . 71.41 112.639 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.556 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -148.05 132.36 17.5 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.129 -0.941 . . . . 62.34 110.872 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 71' ' ' ASN . 75.4 p -97.76 135.75 39.09 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.739 0.816 . . . . 73.34 110.692 -175.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' A' ' 23' ' ' VAL . 13.0 mt -123.51 118.84 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.115 0.566 . . . . 70.41 109.805 -178.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.4 m -117.39 120.03 36.92 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.32 0.648 . . . . 71.42 111.586 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -84.66 134.26 34.37 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.345 0.658 . . . . 53.44 110.025 171.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.35 136.03 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.872 0.869 . . . . 75.34 110.942 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -77.37 100.47 5.96 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.974 0.51 . . . . 72.34 110.165 168.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -66.43 -20.19 65.99 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 121.129 0.49 . . . . 55.22 110.374 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -65.2 -28.18 69.2 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 124.828 1.251 . . . . 73.11 111.578 172.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.53 50.38 1.19 Allowed 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 123.456 0.702 . . . . 50.11 110.367 178.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.55 26.65 46.17 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 116.19 1.236 . . . . 40.04 116.19 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.21 39.23 7.44 Favored Glycine 0 N--CA 1.477 1.382 0 C-N-CA 123.091 0.377 . . . . 64.01 113.317 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.01 114.11 9.76 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.532 0.733 . . . . 41.05 111.485 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -60.12 123.08 16.04 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.104 0.561 . . . . 54.11 111.767 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 76' ' ' LEU . 14.4 t -92.29 104.64 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.451 0.7 . . . . 75.22 109.514 -176.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.89 -94.63 0.79 Allowed Glycine 0 CA--C 1.538 1.506 0 CA-C-N 116.309 -0.405 . . . . 75.33 113.329 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -155.68 -178.54 7.36 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.522 0.677 . . . . 73.54 112.797 -170.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.9 mt -105.18 134.16 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 C-N-CA 124.252 1.021 . . . . 74.12 109.937 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG23 ' HB ' ' A' ' 7' ' ' ILE . 6.8 m -109.96 116.63 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.427 0.691 . . . . 75.44 110.932 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -103.78 108.85 20.34 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.168 0.587 . . . . 70.11 110.695 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 m -97.56 143.26 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 123.039 0.536 . . . . 74.51 110.952 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -113.18 150.97 31.52 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.564 0.697 . . . . 64.11 112.83 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.35 -110.42 0.27 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 115.412 -0.813 . . . . 53.24 111.575 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -161.42 154.68 21.24 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 117.668 0.734 . . . . 75.32 111.455 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.0 p -52.44 -38.45 59.26 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.468 0.914 . . . . 52.24 113.468 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -86.88 16.22 5.1 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 123.981 0.912 . . . . 60.11 111.624 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -134.84 148.97 50.28 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.285 1.034 . . . . 73.24 110.334 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.0 p -133.33 141.38 47.92 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.537 0.735 . . . . 45.23 111.073 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 t -114.3 161.11 18.3 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.755 0.822 . . . . 65.02 111.242 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.5 p -110.53 105.76 14.82 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.548 0.739 . . . . 72.14 109.697 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -97.23 129.64 44.54 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.203 1.001 . . . . 63.53 110.031 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.7 m -84.59 136.7 33.67 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.258 0.481 . . . . 73.32 111.026 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.2 t -75.74 130.97 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.056 0 C-N-CA 123.652 0.781 . . . . 74.1 110.266 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.9 p -103.39 120.85 41.59 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.04 0.936 . . . . 65.34 111.085 -177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 45' ' ' TYR . 49.5 mm -95.38 111.42 55.17 Favored Pre-proline 0 CA--C 1.56 1.36 0 C-N-CA 124.009 0.924 . . . . 64.05 111.074 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.613 ' HD2' ' HB2' ' A' ' 43' ' ' TYR . 4.6 Cg_exo -79.29 172.01 15.27 Favored 'Trans proline' 0 CA--C 1.566 2.102 0 C-N-CA 123.359 2.706 . . . . 64.31 113.326 175.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.38 105.97 2.77 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.843 0.857 . . . . 73.12 112.778 -174.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.82 11.92 51.78 Favored Glycine 0 N--CA 1.483 1.778 0 CA-C-N 116.211 -0.45 . . . . 45.34 114.053 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.613 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 45.0 m-85 -120.74 152.14 38.66 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 124.245 1.018 . . . . 62.33 109.906 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -137.44 140.18 41.1 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 123.417 0.687 . . . . 61.02 111.403 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.525 ' HB2' HD11 ' A' ' 39' ' ' ILE . 78.0 t80 -66.66 123.43 20.07 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.214 0.606 . . . . 75.22 112.181 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.4 t -99.01 -58.11 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.531 0.733 . . . . 75.11 111.229 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -170.2 -176.53 39.82 Favored Glycine 0 N--CA 1.476 1.359 0 CA-C-N 116.704 -0.225 . . . . 72.31 113.435 -173.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.1 m -146.65 137.24 23.89 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.898 0.879 . . . . 70.44 111.032 -177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -121.97 152.6 39.54 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.838 1.255 . . . . 72.04 110.139 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.14 -70.71 1.05 Allowed Glycine 0 N--CA 1.476 1.316 0 C-N-CA 122.533 0.111 . . . . 43.52 113.305 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.89 -171.05 47.38 Favored Glycine 0 N--CA 1.478 1.474 0 N-CA-C 113.907 0.323 . . . . 71.44 113.907 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -101.58 117.02 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 123.35 0.66 . . . . 62.42 110.081 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.1 p -87.22 140.07 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-O 120.907 0.384 . . . . 72.34 111.235 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -72.93 167.82 20.23 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.565 0.746 . . . . 72.12 111.986 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.0 p -62.51 -29.72 70.75 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.416 1.087 . . . . 72.34 113.14 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -88.46 -18.35 28.43 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.56 0.578 . . . . 70.45 112.56 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.25 -2.2 57.66 Favored Glycine 0 CA--C 1.545 1.924 0 N-CA-C 114.335 0.494 . . . . 70.55 114.335 -172.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -71.87 -35.65 69.86 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.143 0.977 . . . . 74.12 111.899 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.7 p -123.71 147.87 47.08 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.211 1.004 . . . . 51.22 110.657 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.3 m -125.28 117.49 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 C-N-CA 125.152 1.381 . . . . 71.32 109.561 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.1 m -71.0 113.16 7.75 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.441 0.696 . . . . 62.14 110.414 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 mm -98.79 116.86 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.686 0.795 . . . . 50.44 109.777 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.1 m -103.12 127.73 50.29 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 108.732 -0.84 . . . . 52.44 108.732 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.69 138.03 46.36 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.643 0.777 . . . . 72.31 110.929 -172.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.72 137.62 31.8 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 111.937 0.347 . . . . 72.12 111.937 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.19 -22.96 61.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.228 0.611 . . . . 64.12 110.944 169.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -84.5 173.5 10.79 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.14 0.976 . . . . 74.1 110.649 176.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.14 29.18 0.22 Allowed 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 123.726 0.81 . . . . 62.35 113.095 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.2 t -95.4 -7.83 37.32 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.895 0.878 . . . . 35.03 111.31 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.556 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 7.8 p-10 -75.86 -30.54 58.95 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.088 0.955 . . . . 54.42 111.996 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.8 p30 -73.62 96.58 2.49 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.79 0.805 . . . . 64.33 111.622 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.5 t -93.09 118.98 40.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 124.45 1.1 . . . . 51.34 109.738 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.6 t -99.17 107.25 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.121 0.568 . . . . 72.15 110.55 -175.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.8 mt -91.11 136.18 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.36 0.664 . . . . 54.5 109.285 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -109.27 142.85 39.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.11 0.964 . . . . 74.35 111.334 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 19' ' ' VAL . 95.6 mt -134.68 160.16 39.01 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.614 1.166 . . . . 74.55 110.808 -178.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -138.22 148.28 44.63 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.763 0.425 . . . . 74.21 111.074 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -78.08 120.47 22.95 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.775 -0.454 . . . . 62.21 109.775 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.17 -111.3 0.51 Allowed Glycine 0 C--N 1.347 1.187 0 CA-C-N 116.739 -0.21 . . . . 43.12 112.875 -175.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.81 112.82 17.46 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 108.03 -1.1 . . . . 74.41 108.03 169.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -71.81 164.01 26.79 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.771 0.796 . . . . 62.53 112.354 -172.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.581 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . 63.1 m80 -82.56 -11.16 58.63 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 114.583 -1.19 . . . . 75.22 113.844 -160.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 24.7 p80 43.25 -76.07 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 126.744 2.018 . . . . 74.3 116.149 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -69.12 -34.54 75.2 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.418 0.687 . . . . 72.43 110.651 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.581 ' HB3' ' HB3' ' A' ' 82' ' ' HIS . 24.8 t60 -80.81 122.67 27.47 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 107.721 -1.214 . . . . 51.53 107.721 163.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -80.74 20.07 0.78 Allowed 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 114.161 1.171 . . . . 74.35 114.161 -165.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 121.948 0.88 . . . . 75.31 111.471 177.62 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 ttm . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 110.11 -0.33 . . . . 75.1 110.11 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -86.56 114.6 23.43 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 109.752 -0.462 . . . . 64.12 109.752 169.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -112.53 170.64 8.03 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.556 0.742 . . . . 75.31 112.17 -175.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -112.02 131.93 55.11 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.884 0.874 . . . . 73.15 111.944 -169.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.68 119.28 37.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.703 0.801 . . . . 55.54 109.462 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.539 ' OG1' HG23 ' A' ' 22' ' ' ILE . 9.6 t -98.23 139.75 33.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.373 0.606 . . . . 62.42 111.788 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.579 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mp -105.06 112.7 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 107.808 -1.182 . . . . 75.13 107.808 174.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -125.18 108.18 11.5 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.521 0.729 . . . . 72.24 109.939 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 16.0 m-85 -74.73 140.4 44.09 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.14 -0.689 . . . . 72.02 109.14 172.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.3 m -144.21 145.71 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 124.265 1.026 . . . . 74.0 109.823 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -102.57 130.3 49.39 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.83 -0.544 . . . . 74.22 110.852 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.44 -29.01 68.74 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.301 1.04 . . . . 72.15 112.057 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.56 -37.16 57.32 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.533 1.133 . . . . 62.13 113.124 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.26 23.83 13.23 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 121.232 0.539 . . . . 71.32 110.279 -173.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.63 33.91 63.34 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 115.667 -0.697 . . . . 74.32 113.928 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.5 54.03 3.08 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-O 120.256 -0.191 . . . . 61.11 113.546 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.85 135.69 33.24 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 122.953 0.501 . . . . 53.54 110.979 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -64.05 128.19 34.73 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 123.375 0.67 . . . . 73.54 111.983 -174.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 49.9 t -109.77 123.15 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 124.76 1.224 . . . . 72.4 109.893 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.08 -116.02 4.23 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-O 120.042 -0.31 . . . . 73.13 112.922 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -147.17 166.34 27.27 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.536 0.684 . . . . 65.01 112.61 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.539 HG23 ' OG1' ' A' ' 6' ' ' THR . 2.4 mp -88.07 116.0 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 124.302 1.041 . . . . 72.11 109.66 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 60.2 t -105.97 101.92 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.289 0.635 . . . . 71.43 110.699 -173.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 p -92.37 125.11 36.88 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.763 -0.586 . . . . 72.11 111.82 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.9 m -108.91 151.07 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.228 1.011 . . . . 70.1 109.136 168.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.1 m -129.8 128.61 42.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 122.103 -0.373 . . . . 71.02 110.811 -175.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.55 -157.36 8.8 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 111.963 -0.455 . . . . 64.23 111.963 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 31' ' ' ASP . 14.3 mmmm -112.12 154.91 24.75 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.997 0.519 . . . . 54.12 110.7 -176.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.5 p -59.3 -31.5 69.2 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.453 0.538 . . . . 62.11 112.453 171.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.76 -32.43 69.56 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.955 0.902 . . . . 72.2 111.361 172.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.431 ' HB3' ' H ' ' A' ' 28' ' ' LYS . 34.0 t70 -90.28 153.36 20.52 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.222 1.009 . . . . 63.14 112.003 -174.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.9 p -129.73 139.51 51.3 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.361 0.664 . . . . 44.0 110.481 172.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.432 HG23 ' HB ' ' A' ' 62' ' ' ILE . 9.8 t -116.73 161.81 18.66 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.371 1.068 . . . . 55.24 111.165 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.2 p -107.29 149.68 27.52 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.9 0.88 . . . . 62.42 111.119 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.459 ' CE2' HG21 ' A' ' 7' ' ' ILE . 77.8 t80 -142.0 126.31 17.6 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.021 0.529 . . . . 74.43 110.85 173.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.4 m -87.94 116.21 25.95 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.794 0.438 . . . . 71.43 110.144 173.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.29 125.25 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.599 0.76 . . . . 74.22 110.478 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.9 m -108.23 108.54 19.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.058 0.943 . . . . 54.33 109.929 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.482 HD12 HD21 ' A' ' 76' ' ' LEU . 37.6 mm -92.6 111.08 49.23 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 123.248 0.619 . . . . 62.3 110.386 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.31 146.64 57.32 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.207 1.938 . . . . 64.05 112.664 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.58 135.01 56.5 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 121.304 0.574 . . . . 73.32 111.829 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.6 -24.53 30.56 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 115.188 -0.914 . . . . 55.01 111.756 -168.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 63.2 m-85 -103.93 144.48 31.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.241 0.616 . . . . 71.31 111.389 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 77' ' ' LYS . 15.8 mm-40 -112.23 121.02 43.74 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.761 1.225 . . . . 71.33 110.155 -175.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -67.05 114.07 5.54 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 117.987 0.358 . . . . 74.43 111.806 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -96.68 -49.88 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.539 0.735 . . . . 73.41 110.602 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.43 174.27 46.09 Favored Glycine 0 N--CA 1.473 1.111 0 CA-C-N 115.771 -0.65 . . . . 74.4 112.284 -178.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.2 m -143.9 142.3 30.71 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 117.256 0.528 . . . . 72.52 111.017 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -112.09 154.65 25.1 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.575 1.15 . . . . 74.33 110.397 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.68 -85.82 0.41 Allowed Glycine 0 N--CA 1.477 1.405 0 CA-C-O 120.237 -0.202 . . . . 72.03 113.109 172.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.2 -160.54 36.62 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 114.382 0.513 . . . . 71.44 114.382 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.414 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 88.2 t -93.0 106.23 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.674 0.79 . . . . 63.25 109.355 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.3 t -90.34 143.28 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.668 0.387 . . . . 73.45 111.495 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -67.83 162.11 24.78 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.189 0.996 . . . . 53.15 111.876 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 p -55.39 -39.41 70.12 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.063 0.945 . . . . 73.15 112.011 176.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -94.57 -2.3 51.77 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.679 0.792 . . . . 64.44 111.8 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.52 30.32 76.28 Favored Glycine 0 C--N 1.357 1.72 0 C-N-CA 122.673 0.177 . . . . 54.03 113.409 -175.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -88.98 -30.3 18.87 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.948 0.899 . . . . 72.54 112.217 -177.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -134.85 149.83 50.39 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.694 0.797 . . . . 72.12 110.524 -177.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.8 t -134.98 121.33 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.964 0.906 . . . . 55.52 109.797 175.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.414 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 20.3 m -81.84 103.87 11.81 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 109.229 -0.656 . . . . 55.33 109.229 173.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.432 ' HB ' HG23 ' A' ' 33' ' ' THR . 52.7 mt -90.49 106.72 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 124.372 1.069 . . . . 74.14 110.328 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 m -107.19 125.61 51.33 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.243 -0.651 . . . . 51.41 109.243 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.513 ' HA ' ' HB3' ' A' ' 70' ' ' ASP . 81.4 m-85 -71.8 148.01 46.68 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.69 0.626 . . . . 73.31 112.69 -170.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.82 154.79 43.77 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.049 0.939 . . . . 73.54 110.903 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.63 70.08 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.289 0.636 . . . . 73.33 111.756 174.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -100.09 173.94 6.4 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.018 0.927 . . . . 74.4 110.078 173.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -79.63 73.85 6.32 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.426 0.631 . . . . 52.51 111.03 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.7 m -112.67 -14.51 13.14 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.198 0.999 . . . . 62.52 110.733 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' A' ' 64' ' ' PHE . 1.4 p-10 -95.45 -27.29 15.48 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.805 1.242 . . . . 62.43 111.946 -178.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -69.93 114.13 7.82 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.411 0.684 . . . . 75.34 110.837 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.452 ' HB ' HG13 ' A' ' 7' ' ' ILE . 72.3 t -94.58 121.85 45.53 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 124.783 1.233 . . . . 75.45 111.517 -170.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.97 110.88 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.295 0.638 . . . . 75.21 110.608 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.5 mp -91.25 133.46 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 109.449 -0.574 . . . . 73.52 109.449 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -108.67 133.19 53.1 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.036 0.934 . . . . 74.55 110.297 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.482 HD21 HD12 ' A' ' 39' ' ' ILE . 94.1 mt -128.3 161.94 28.22 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.809 0.844 . . . . 72.13 111.997 -173.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.608 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 48.8 mmtt -120.18 161.05 21.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.686 0.794 . . . . 70.21 110.123 170.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -97.29 138.54 34.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.478 0.711 . . . . 73.32 111.18 175.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 42.15 -106.06 0.07 OUTLIER Glycine 0 CA--C 1.541 1.671 0 N-CA-C 116.61 1.404 . . . . 55.52 116.61 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mp -111.36 40.22 2.13 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.46 1.104 . . . . 74.03 111.805 -171.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' HB2' ' HB3' ' A' ' 77' ' ' LYS . 39.4 mt-10 -81.86 66.97 7.66 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.654 0.74 . . . . 62.31 111.778 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -145.49 3.66 1.0 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.62 1.568 . . . . 75.2 109.75 171.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -146.16 128.03 15.4 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.287 0.635 . . . . 70.14 110.336 -172.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -77.47 171.48 14.82 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.734 0.814 . . . . 75.01 111.988 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -99.18 -37.11 9.44 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.227 0.611 . . . . 73.15 111.238 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -88.9 135.63 33.43 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.361 0.664 . . . . 65.22 110.634 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 . . . . . 0 N--CA 1.484 1.269 0 C-N-CA 124.188 0.995 . . . . 74.41 111.189 -177.669 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtm . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 112.266 0.469 . . . . 72.04 112.266 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -111.55 142.23 44.11 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.101 0.56 . . . . 73.4 111.225 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -110.99 143.2 42.04 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.606 0.762 . . . . 72.24 111.423 -172.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -97.27 162.13 13.48 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.206 0.602 . . . . 64.33 110.502 173.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.98 125.17 41.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.933 0.893 . . . . 62.42 109.308 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.8 p -97.98 128.79 44.76 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.545 0.738 . . . . 73.03 111.49 -167.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.577 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 26.7 mt -120.32 132.11 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 124.014 0.925 . . . . 72.41 109.411 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.1 m -143.12 121.28 12.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.708 -0.62 . . . . 75.12 111.462 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' HD2' HD11 ' A' ' 76' ' ' LEU . 28.9 m-85 -79.93 129.36 34.43 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.778 0.831 . . . . 63.24 109.585 172.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 26.8 m -120.22 141.69 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 112.82 0.674 . . . . 74.01 112.82 -174.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 23.7 t0 -90.7 94.25 9.6 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.366 1.066 . . . . 73.32 109.316 175.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.19 -14.92 62.66 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.604 0.965 . . . . 65.24 113.604 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.47 -13.55 58.05 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.302 0.641 . . . . 75.42 110.844 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -118.36 22.66 12.0 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.992 0.917 . . . . 65.42 110.314 -177.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.84 40.43 64.09 Favored Glycine 0 C--N 1.35 1.346 0 CA-C-N 115.936 -0.574 . . . . 60.0 114.101 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.92 48.69 39.44 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 113.724 0.25 . . . . 63.24 113.724 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -74.7 167.73 21.22 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.096 0.558 . . . . 73.51 112.099 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.38 120.38 25.81 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.907 -0.496 . . . . 75.33 111.22 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.1 t -101.52 107.95 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.715 0.806 . . . . 74.42 109.082 173.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.86 -121.04 5.3 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 120.103 -0.276 . . . . 54.11 112.812 -176.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -147.54 162.19 39.59 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.458 0.703 . . . . 71.15 111.299 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.34 132.04 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.761 0.825 . . . . 44.14 110.768 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.577 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 58.7 t -106.07 112.77 40.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 124.457 1.103 . . . . 61.31 110.084 -177.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.5 p -104.97 130.92 53.06 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.812 0.445 . . . . 72.2 111.198 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.7 m -112.8 138.77 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.683 0.793 . . . . 72.41 109.387 172.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.2 m -106.23 141.65 37.23 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 123.184 0.594 . . . . 64.5 111.999 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.22 -134.1 1.81 Allowed Glycine 0 CA--C 1.533 1.182 0 N-CA-C 111.526 -0.63 . . . . 25.34 111.526 176.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -143.62 156.1 44.46 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 117.644 0.722 . . . . 72.44 110.071 177.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 77.8 p -50.17 -30.03 10.52 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 114.633 1.345 . . . . 72.33 114.633 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.39 -20.02 48.67 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 124.122 0.969 . . . . 73.34 112.361 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -102.84 157.6 16.85 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.519 0.728 . . . . 75.21 112.352 -172.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 m -125.36 154.52 41.72 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.175 0.99 . . . . 55.41 110.644 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 t -138.83 162.23 35.29 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 123.848 0.859 . . . . 63.32 110.557 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -116.09 144.14 44.53 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 121.308 0.575 . . . . 73.3 111.455 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -143.21 139.09 30.12 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.108 0.963 . . . . 60.31 110.269 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.7 m -100.12 138.88 36.59 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.162 0.585 . . . . 73.41 110.92 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.42 HG13 HG21 ' A' ' 74' ' ' ILE . 95.8 t -76.18 131.13 35.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 124.392 1.077 . . . . 55.14 110.63 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.7 p -107.49 112.19 24.84 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.118 0.967 . . . . 63.02 109.942 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 43.1 mm -90.07 113.27 56.57 Favored Pre-proline 0 N--CA 1.49 1.552 0 C-N-CA 123.422 0.689 . . . . 63.2 111.063 -175.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 39' ' ' ILE . 16.2 Cg_exo -69.76 171.21 14.88 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.52 2.813 . . . . 54.04 114.679 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.72 120.82 10.81 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.171 0.988 . . . . 70.21 112.381 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.76 6.58 89.3 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 116.191 -0.459 . . . . 71.04 114.094 177.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -104.29 150.16 24.69 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 117.549 0.675 . . . . 73.44 111.284 176.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -122.36 140.48 52.63 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.497 1.119 . . . . 74.23 109.884 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -67.68 122.01 17.16 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.519 0.728 . . . . 65.55 111.578 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.0 t -92.5 -52.97 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.932 0.493 . . . . 71.34 109.937 173.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.47 156.01 9.62 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.088 -0.506 . . . . 62.53 113.66 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.443 ' HB ' ' HB ' ' A' ' 53' ' ' VAL . 45.5 m -92.65 131.77 37.46 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.223 0.609 . . . . 72.24 111.306 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.483 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 20.9 t0 -109.91 152.49 25.75 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.602 1.161 . . . . 74.31 109.004 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.72 -73.66 2.61 Favored Glycine 0 N--CA 1.477 1.371 0 N-CA-C 113.739 0.256 . . . . 72.42 113.739 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.91 178.65 48.41 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 116.661 0.23 . . . . 74.34 113.579 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 46.3 t -88.1 112.5 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 122.972 0.509 . . . . 75.34 110.087 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.443 ' HB ' ' HB ' ' A' ' 48' ' ' THR . 7.5 p -95.51 140.84 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 122.784 0.434 . . . . 70.45 111.57 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -80.18 174.12 11.92 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.191 0.597 . . . . 62.32 111.971 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 t -61.65 -39.3 90.87 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 113.273 0.842 . . . . 74.54 113.273 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.82 -9.77 58.54 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 122.965 0.506 . . . . 64.23 112.178 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.37 -36.46 3.57 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 115.256 0.862 . . . . 74.03 115.256 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.26 -43.08 87.46 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.058 0.762 . . . . 61.32 113.058 -172.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.6 p -94.94 128.36 41.67 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 122.034 -0.416 . . . . 60.11 110.976 -176.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.5 t -126.91 125.46 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.736 0.814 . . . . 51.55 111.075 -175.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.44 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 48.0 m -82.7 107.02 15.03 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.49 0.716 . . . . 73.0 110.013 171.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.8 mt -103.71 116.83 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.134 0.974 . . . . 73.41 109.808 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 56.3 m -110.3 120.3 41.99 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.97 0.508 . . . . 73.24 109.698 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 29' ' ' THR . 23.9 m-85 -55.26 125.17 19.57 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.289 0.636 . . . . 74.05 109.934 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.25 152.43 46.12 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.872 0.693 . . . . 52.32 112.872 -171.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.03 -30.95 61.21 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 115.504 -0.771 . . . . 74.35 110.282 168.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.48 107.48 14.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.826 0.85 . . . . 71.11 110.702 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 61.18 18.96 9.61 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.98 1.312 . . . . 65.35 113.024 170.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m 60.12 11.89 2.96 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.766 1.226 . . . . 62.22 113.274 -175.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t70 59.49 67.48 0.89 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.455 1.102 . . . . 63.15 110.038 -167.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -70.25 105.55 3.01 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.221 -0.9 . . . . 73.41 111.491 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.9 t -94.97 117.94 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 124.107 0.963 . . . . 73.01 109.672 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.483 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 61.8 t -114.34 110.19 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.324 0.65 . . . . 74.24 110.07 -176.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.42 HG21 HG13 ' A' ' 37' ' ' VAL . 30.5 mm -85.28 110.66 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.252 -0.647 . . . . 70.11 109.252 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -84.58 128.39 34.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.83 0.452 . . . . 75.14 110.363 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.408 HD11 ' HD2' ' A' ' 9' ' ' TYR . 83.3 mt -131.19 138.76 49.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.672 0.789 . . . . 65.24 110.951 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -110.02 172.56 6.79 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.917 0.887 . . . . 74.41 109.726 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -94.38 128.35 40.85 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.945 -0.472 . . . . 53.34 110.693 172.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.95 -67.82 1.51 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.34 -1.504 . . . . 60.42 109.34 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.401 HD23 ' H ' ' A' ' 82' ' ' HIS . 3.9 tt -72.8 117.26 14.29 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 108.055 -1.091 . . . . 74.24 108.055 163.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.36 -32.55 74.21 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 123.463 0.705 . . . . 54.45 112.874 -174.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.401 ' H ' HD23 ' A' ' 80' ' ' LEU . 53.2 t60 65.15 104.7 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.079 1.352 . . . . 72.44 111.758 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -70.45 97.7 1.32 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.146 0.578 . . . . 73.34 111.145 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -71.36 142.19 50.37 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.89 0.876 . . . . 71.42 110.221 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -70.86 107.37 3.98 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.556 0.342 . . . . 61.12 110.422 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 53.69 172.58 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 126.971 2.108 . . . . 74.44 115.152 -175.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 . . . . . 0 N--CA 1.483 1.181 0 C-N-CA 124.272 1.029 . . . . 71.31 110.031 -179.916 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptp . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.51 0.195 . . . . 71.23 111.116 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -77.96 127.37 32.24 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 122.748 0.419 . . . . 72.54 110.319 169.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -91.73 145.53 24.5 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.249 0.62 . . . . 52.35 110.678 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -114.16 169.08 9.28 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.559 0.744 . . . . 74.33 112.163 -176.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.81 124.97 8.69 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.465 1.106 . . . . 50.14 109.458 169.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.0 p -104.79 129.47 53.06 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.313 0.645 . . . . 73.34 112.097 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.527 HG13 ' HB ' ' A' ' 72' ' ' VAL . 3.9 mp -109.22 104.73 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.574 0.75 . . . . 64.55 109.332 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.5 m -103.48 121.0 41.93 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.457 0.703 . . . . 75.4 110.484 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -84.23 134.75 34.53 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.005 0.522 . . . . 72.21 109.88 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.25 160.11 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 124.289 1.036 . . . . 72.43 110.313 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.88 125.26 43.69 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 121.44 0.638 . . . . 71.12 111.013 173.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -66.73 -25.69 66.64 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 124.872 1.269 . . . . 62.23 113.993 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -74.66 -7.06 52.06 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 112.558 0.577 . . . . 74.22 112.558 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.518 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 6.0 mmpt? -124.98 29.53 6.12 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.934 0.894 . . . . 54.25 110.331 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.59 28.67 70.65 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-N 115.865 -0.607 . . . . 72.33 113.864 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.88 43.02 15.22 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 123.434 0.137 . . . . 62.14 112.861 -172.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.57 132.3 37.1 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.599 0.36 . . . . 51.14 110.559 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.89 131.98 45.98 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.371 0.668 . . . . 74.52 112.484 -171.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -99.67 104.87 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 N-CA-C 107.903 -1.147 . . . . 72.31 107.903 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.43 -137.85 23.31 Favored Glycine 0 CA--C 1.541 1.685 0 CA-C-O 120.258 -0.19 . . . . 72.42 112.886 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -114.58 -179.23 3.57 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.491 0.716 . . . . 54.52 111.542 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.436 HD12 ' H ' ' A' ' 22' ' ' ILE . 3.6 mp -86.74 140.85 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.435 0.694 . . . . 75.23 109.204 173.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -108.12 100.72 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 122.901 0.48 . . . . 54.51 110.244 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.1 m -89.47 118.95 29.5 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 122.061 -0.399 . . . . 74.11 110.409 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -105.21 144.88 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 123.467 0.707 . . . . 70.21 109.315 171.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -132.87 156.65 46.81 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 113.011 0.745 . . . . 44.14 113.011 -167.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 157.12 -116.56 0.72 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 115.623 -0.717 . . . . 31.24 112.231 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -165.39 153.41 11.28 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.274 1.03 . . . . 75.43 109.112 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -54.85 -21.34 11.07 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 114.961 1.467 . . . . 72.13 114.961 -170.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.87 -26.68 67.75 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.589 1.156 . . . . 62.44 112.126 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -102.06 138.44 39.01 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.878 0.871 . . . . 71.41 110.627 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -121.37 142.09 50.33 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.462 0.705 . . . . 73.42 110.951 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -145.17 149.46 35.01 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.51 0.724 . . . . 61.41 110.862 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.2 p -102.6 112.69 25.55 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 109.691 -0.485 . . . . 55.44 109.691 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -82.05 132.63 35.25 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.422 0.689 . . . . 71.14 109.762 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 t -76.42 114.21 14.87 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-O 121.436 0.636 . . . . 64.14 111.474 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.6 t -78.87 121.51 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.194 0.597 . . . . 61.21 110.368 175.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.1 p -97.37 114.12 25.88 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.103 0.561 . . . . 70.42 110.521 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.48 112.03 50.69 Favored Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.658 0.783 . . . . 73.24 110.197 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.24 157.51 50.01 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.627 2.218 . . . . 63.23 112.77 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -67.39 126.41 29.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.224 0.61 . . . . 62.13 111.015 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.58 -12.37 61.33 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 115.956 -0.565 . . . . 74.1 113.242 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -108.99 141.35 41.22 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.438 0.695 . . . . 73.32 110.886 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -122.46 136.38 54.88 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.788 1.235 . . . . 74.1 110.076 -175.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -66.59 113.53 4.84 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 122.765 0.426 . . . . 75.22 111.572 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.2 t -87.97 -60.6 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.449 0.699 . . . . 73.44 110.597 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.72 -176.88 42.51 Favored Glycine 0 C--N 1.342 0.875 0 CA-C-N 115.105 -0.952 . . . . 74.31 112.558 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.5 m -150.42 139.7 21.29 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.143 0.577 . . . . 74.51 110.982 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -116.84 150.27 38.66 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.713 0.805 . . . . 72.11 110.504 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.66 -150.14 22.23 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-O 119.293 -0.726 . . . . 74.45 112.831 -172.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -28.7 155.34 0.0 OUTLIER Glycine 0 N--CA 1.493 2.469 0 N-CA-C 118.088 1.995 . . . . 65.33 118.088 171.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.7 t -77.23 120.96 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.757 0.823 . . . . 75.21 111.594 -161.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.1 p -97.55 155.62 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 CA-C-O 121.16 0.505 . . . . 73.44 112.053 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -71.44 164.83 25.04 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.242 1.017 . . . . 75.11 112.67 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.7 p -61.49 -32.36 72.37 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.365 1.066 . . . . 60.34 111.944 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -96.37 -14.34 22.57 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.903 0.881 . . . . 63.44 111.398 177.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.71 35.77 62.17 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-N 116.236 -0.438 . . . . 73.45 112.574 -169.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.3 -27.6 22.78 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.933 0.493 . . . . 63.42 111.828 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.5 p -142.75 158.53 43.55 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.071 0.948 . . . . 43.41 111.336 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.576 HG11 HG11 ' A' ' 72' ' ' VAL . 11.1 m -129.02 125.25 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.412 1.085 . . . . 75.13 110.212 170.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.9 m -82.52 128.94 34.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.878 0.871 . . . . 73.55 109.66 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 49.7 mm -124.01 136.12 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 C-N-CA 124.371 1.068 . . . . 63.41 111.438 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 p -125.07 114.65 19.35 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.479 -1.304 . . . . 55.13 107.479 164.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -67.62 113.07 5.12 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.813 0.845 . . . . 75.04 110.355 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.52 146.53 32.44 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.279 0.844 . . . . 51.43 113.279 -169.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.93 1.73 16.8 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 114.848 -1.069 . . . . 51.55 111.732 168.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.96 -29.72 62.14 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.773 1.229 . . . . 61.33 111.097 171.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 70.7 9.34 6.83 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.342 1.608 . . . . 63.03 115.342 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.2 m -65.43 -65.78 0.63 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 118.798 0.727 . . . . 62.11 111.0 172.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -34.12 -7.65 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 118.296 2.702 . . . . 73.31 118.296 164.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -69.78 99.86 1.42 Allowed 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 119.677 1.126 . . . . 42.13 108.919 163.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.576 HG11 HG11 ' A' ' 60' ' ' VAL . 52.3 t -84.93 143.84 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.15 0.98 . . . . 73.23 111.628 -174.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.3 t -127.11 118.84 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 123.289 0.636 . . . . 72.52 109.584 167.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.1 mm -90.24 119.62 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.078 0.951 . . . . 75.14 109.852 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -92.44 131.91 37.21 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.714 0.806 . . . . 75.32 110.309 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.14 145.19 51.87 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.86 0.864 . . . . 73.44 110.801 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -124.56 150.91 45.39 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.75 -0.594 . . . . 73.43 110.822 173.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -74.92 137.8 41.94 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 122.705 0.402 . . . . 63.53 110.886 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.27 42.53 1.92 Allowed Glycine 0 N--CA 1.473 1.163 0 N-CA-C 111.317 -0.713 . . . . 73.41 111.317 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 mt -99.75 88.01 3.7 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.848 0.859 . . . . 73.24 109.687 -173.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -75.89 105.04 6.71 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.904 -0.589 . . . . 71.53 110.785 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -117.83 136.7 53.25 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.555 0.742 . . . . 62.21 111.115 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -65.81 150.4 48.61 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.869 0.468 . . . . 72.42 111.076 173.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -91.11 39.92 1.01 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.666 0.746 . . . . 73.21 111.577 -173.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -72.58 -11.88 60.83 Favored 'General case' 0 CA--C 1.565 1.557 0 C-N-CA 124.076 0.95 . . . . 73.13 111.018 175.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -124.07 152.1 43.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.795 1.238 . . . . 73.41 110.08 167.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.6 t60 . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 123.546 0.738 . . . . 74.03 111.008 178.563 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 CA--C 1.549 0.94 0 CA-C-O 120.656 0.265 . . . . 62.41 110.512 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -114.13 144.84 42.5 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.579 0.752 . . . . 64.33 110.455 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -107.66 169.25 8.71 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.972 0.891 . . . . 74.34 113.354 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.09 118.82 7.53 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 113.95 -1.477 . . . . 34.02 108.15 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -105.73 123.71 48.38 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.076 0.465 . . . . 64.33 110.152 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.557 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 11.7 mt -103.5 97.83 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.689 -0.856 . . . . 72.24 108.689 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.8 m -106.23 111.29 23.83 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 110.114 -0.328 . . . . 51.12 110.114 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -73.48 124.7 26.34 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.926 -0.768 . . . . 71.13 108.926 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 m -126.92 150.86 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.861 0.864 . . . . 72.42 110.419 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -92.88 96.82 10.36 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.479 -0.563 . . . . 63.23 109.479 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.499 ' HB2' ' HB3' ' A' ' 75' ' ' HIS . 15.1 t70 -61.62 -19.33 62.14 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.89 1.276 . . . . 65.23 112.582 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' A' ' 77' ' ' LYS . 14.3 t70 -80.9 -26.69 36.64 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.598 0.759 . . . . 63.43 111.05 175.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.44 41.37 2.33 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.659 0.784 . . . . 75.04 110.689 -173.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.84 28.92 70.96 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 115.258 0.863 . . . . 65.35 115.258 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.05 23.66 56.79 Favored Glycine 0 CA--C 1.54 1.642 0 N-CA-C 114.791 0.676 . . . . 71.42 114.791 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.88 132.08 43.06 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 117.632 0.716 . . . . 72.33 111.13 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.511 HE22 HG13 ' A' ' 22' ' ' ILE . 64.4 tt0 -61.03 131.24 49.99 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.862 1.06 . . . . 72.25 113.862 -166.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.64 111.42 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.247 1.019 . . . . 70.11 108.46 172.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.76 -113.28 3.76 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 120.174 -0.237 . . . . 31.24 113.278 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -150.49 171.8 16.48 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.361 0.601 . . . . 64.52 112.223 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.511 HG13 HE22 ' A' ' 18' ' ' GLN . 62.3 mt -81.29 132.62 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.74 0.816 . . . . 75.22 110.481 176.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 21.8 t -93.64 100.81 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 N-CA-C 108.814 -0.809 . . . . 64.13 108.814 174.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.6 m -86.83 106.06 17.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.834 0.454 . . . . 65.4 110.019 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.1 m -115.98 139.15 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 122.759 0.424 . . . . 62.02 109.868 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.0 p -130.03 156.36 44.62 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.351 0.66 . . . . 73.14 110.829 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.82 -140.21 4.6 Favored Glycine 0 N--CA 1.468 0.768 0 CA-C-N 115.722 -0.672 . . . . 73.4 111.823 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -124.4 155.74 38.31 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.339 0.569 . . . . 64.34 110.164 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.8 m -53.65 -30.57 43.76 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.44 0.696 . . . . 70.13 112.699 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.86 -30.5 71.56 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.427 0.691 . . . . 64.33 112.295 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -92.36 135.6 33.89 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.78 0.832 . . . . 73.44 111.89 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -119.8 138.03 53.61 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.537 0.735 . . . . 65.32 109.859 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -109.42 152.86 24.81 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.777 0.831 . . . . 71.22 111.623 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.553 HG22 HG22 ' A' ' 61' ' ' THR . 61.1 p -113.16 115.89 28.97 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.735 0.814 . . . . 52.34 109.681 173.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -115.7 125.47 52.86 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.585 0.754 . . . . 73.52 111.11 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.5 m -84.2 128.8 34.79 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.827 0.451 . . . . 72.13 110.046 173.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.3 t -74.54 131.51 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 124.135 0.974 . . . . 73.31 110.15 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.1 p -105.71 114.19 28.2 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.097 0.959 . . . . 74.05 109.67 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.0 mm -93.49 107.85 29.52 Favored Pre-proline 0 CA--C 1.557 1.224 0 C-N-CA 123.475 0.71 . . . . 63.54 110.935 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -83.74 169.83 11.76 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.894 2.396 . . . . 74.43 113.849 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.27 109.11 1.04 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 114.052 1.13 . . . . 73.43 114.052 -172.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.37 10.46 58.19 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 115.771 -0.649 . . . . 61.35 114.456 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 37.0 m-85 -119.81 140.44 50.77 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 117.542 0.671 . . . . 73.55 110.563 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -118.27 129.58 55.55 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.351 1.06 . . . . 72.41 110.824 -171.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -63.7 115.47 4.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 118.174 0.443 . . . . 72.4 111.914 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.6 t -94.14 -55.13 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.556 0.743 . . . . 62.24 110.114 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.26 172.9 44.97 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-N 115.701 -0.681 . . . . 70.35 113.708 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 76.6 m -136.02 139.93 43.49 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.032 0.933 . . . . 54.31 110.175 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -130.94 153.84 48.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.57 0.748 . . . . 62.44 110.857 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.54 -139.68 14.69 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-O 118.19 -1.339 . . . . 75.33 110.098 -166.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 3.2 116.31 0.0 OUTLIER Glycine 0 N--CA 1.494 2.512 0 N-CA-C 116.48 1.352 . . . . 70.14 116.48 153.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.18 106.08 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.352 0.661 . . . . 75.4 110.666 -168.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 60' ' ' VAL . 12.5 p -77.65 139.84 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 122.818 0.447 . . . . 62.02 111.349 -173.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -71.67 164.87 25.14 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.366 0.666 . . . . 71.24 111.744 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.9 m -64.31 -27.82 69.29 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.356 0.662 . . . . 75.21 112.511 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -82.39 -18.65 41.25 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.181 0.592 . . . . 75.23 112.327 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.4 -20.36 5.08 Favored Glycine 0 CA--C 1.544 1.85 0 N-CA-C 115.268 0.867 . . . . 74.55 115.268 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 58' ' ' LYS . 9.0 mtmp? -79.06 -16.59 56.59 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.932 0.893 . . . . 74.21 112.067 -175.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.5 p -126.69 152.66 46.47 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.553 0.741 . . . . 72.24 110.671 173.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.438 HG22 HG23 ' A' ' 53' ' ' VAL . 94.1 t -138.41 118.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 124.421 1.088 . . . . 52.32 109.988 -175.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.553 HG22 HG22 ' A' ' 34' ' ' THR . 69.4 p -83.11 103.36 12.48 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 121.727 0.775 . . . . 64.42 110.211 173.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.8 mt -93.15 150.4 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.13 1.372 . . . . 74.24 110.144 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.5 m -140.98 133.22 28.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.828 -0.545 . . . . 61.2 110.516 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -72.61 136.94 45.84 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.987 0.915 . . . . 71.51 111.449 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.93 131.13 38.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.909 0.484 . . . . 75.44 111.409 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.5 -21.45 48.9 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.085 0.554 . . . . 54.42 111.239 171.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.98 -62.09 1.81 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.941 0.896 . . . . 75.55 110.845 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.81 -44.95 19.64 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.159 0.983 . . . . 74.43 112.43 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m 56.42 96.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.674 -1.232 . . . . 50.23 107.674 -156.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -67.81 82.39 0.19 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.772 0.796 . . . . 72.43 111.564 -155.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -69.26 97.07 0.9 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.584 -1.189 . . . . 65.45 110.143 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.9 t -87.7 116.4 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 N-CA-C 108.845 -0.798 . . . . 71.11 108.845 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.8 t -110.04 110.65 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.274 0.629 . . . . 43.25 110.123 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -100.99 108.59 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 123.221 0.608 . . . . 70.13 109.783 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 43.4 m-70 -83.45 132.85 34.94 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.351 1.06 . . . . 73.3 110.591 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.7 mt -132.22 137.32 47.52 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 123.366 0.667 . . . . 73.42 111.289 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.491 ' HA ' ' HB2' ' A' ' 13' ' ' ASP . 67.8 mttm -107.69 170.99 7.64 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.4 -0.813 . . . . 73.4 111.35 174.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -89.14 128.75 35.8 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 122.15 -0.344 . . . . 73.55 111.015 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.62 -123.93 3.71 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 116.411 -0.359 . . . . 65.11 112.304 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 N--CA 1.481 1.12 0 C-N-CA 123.053 0.541 . . . . 72.44 109.808 177.549 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.428 0.632 . . . . 50.32 111.31 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 64' ' ' PHE . 12.3 tp10 -112.02 146.46 37.87 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.911 0.884 . . . . 75.24 111.214 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -109.57 124.75 51.65 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.944 0.898 . . . . 71.34 109.797 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.75 138.16 44.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.51 1.124 . . . . 44.31 110.323 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.493 ' HA ' HG22 ' A' ' 24' ' ' THR . 67.2 p -96.96 138.9 33.79 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.489 0.716 . . . . 73.33 112.202 -169.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.1 mt -128.69 110.71 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 124.935 1.294 . . . . 71.43 108.802 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -117.86 109.44 16.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.794 0.437 . . . . 65.3 111.049 -174.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -73.13 133.14 44.01 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 108.73 -0.841 . . . . 61.33 108.73 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 m -133.52 166.14 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.021 0.928 . . . . 72.43 110.289 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -126.95 115.48 19.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.396 0.678 . . . . 73.12 109.547 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -67.1 -26.24 66.61 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.46 1.104 . . . . 54.52 113.069 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -76.69 -8.57 57.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.948 -0.47 . . . . 60.23 111.171 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.8 mmpt? -105.62 18.68 21.8 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.144 0.978 . . . . 51.32 110.214 168.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.25 30.69 69.26 Favored Glycine 0 C--N 1.355 1.588 0 C-N-CA 123.183 0.421 . . . . 60.34 114.149 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.71 31.02 51.22 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 122.891 0.281 . . . . 63.12 113.394 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.35 140.04 31.86 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.476 0.71 . . . . 63.31 110.902 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -68.93 140.88 55.1 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.214 0.82 . . . . 74.22 113.214 -169.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.14 109.67 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.3 1.04 . . . . 73.04 108.845 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.48 -156.92 45.43 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.265 0.353 . . . . 42.42 113.153 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -94.13 154.9 17.35 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.124 0.569 . . . . 74.04 110.369 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.18 130.2 34.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 C-N-CA 123.198 0.599 . . . . 64.53 110.354 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.7 t -93.55 140.51 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.096 -1.075 . . . . 64.14 108.096 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.493 HG22 ' HA ' ' A' ' 6' ' ' THR . 56.6 p -131.91 145.81 51.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.67 -0.644 . . . . 55.14 112.031 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 m -116.33 138.44 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.466 1.106 . . . . 75.23 109.962 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.8 m -113.72 140.24 48.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.868 -0.52 . . . . 70.24 111.7 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.1 174.87 42.08 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.746 0.689 . . . . 65.22 111.571 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -81.24 154.15 26.77 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.141 -0.689 . . . . 73.12 109.141 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.6 p -55.13 -28.24 51.22 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 113.782 1.03 . . . . 33.11 113.782 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.76 -13.48 61.33 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.992 0.917 . . . . 70.3 112.874 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -101.94 151.93 21.53 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.505 0.722 . . . . 72.21 111.886 -177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -125.68 139.18 53.77 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.276 1.03 . . . . 62.44 108.672 167.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.0 t -115.97 160.69 19.91 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.624 0.769 . . . . 74.44 110.808 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.8 m -114.62 125.43 53.75 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.154 0.582 . . . . 63.33 109.639 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -112.53 131.56 55.54 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.129 0.972 . . . . 64.44 110.396 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.9 m -84.39 117.34 23.56 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.842 0.457 . . . . 65.12 110.659 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.28 116.11 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 124.471 1.108 . . . . 62.21 110.128 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.7 p -102.37 119.55 39.0 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.611 0.765 . . . . 75.15 110.677 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.7 mm -90.34 119.36 69.18 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.446 0.698 . . . . 72.31 110.794 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.08 143.24 25.55 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 123.045 2.497 . . . . 62.23 112.533 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.15 120.49 12.2 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.453 0.701 . . . . 72.34 110.767 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.36 -25.52 17.62 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 123.544 0.592 . . . . 51.43 112.63 -172.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -104.84 126.84 52.32 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.143 0.977 . . . . 73.34 110.08 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HB2' ' HG2' ' A' ' 77' ' ' LYS . 11.5 mm-40 -100.3 130.25 46.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.061 0.944 . . . . 71.54 109.894 -175.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -65.02 115.25 5.22 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.328 0.651 . . . . 73.22 111.264 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.5 t -93.46 -42.52 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.415 0.686 . . . . 73.41 110.099 177.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.74 -174.27 43.98 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.005 -0.543 . . . . 70.14 113.747 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.4 m -132.36 139.28 48.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.292 1.037 . . . . 63.42 109.826 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.63 152.41 45.21 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.435 1.094 . . . . 71.01 110.636 -174.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.41 -72.46 1.52 Allowed Glycine 0 N--CA 1.479 1.521 0 C-N-CA 122.76 0.219 . . . . 54.44 112.747 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.01 172.81 48.16 Favored Glycine 0 N--CA 1.478 1.495 0 CA-C-N 116.548 0.174 . . . . 70.22 113.069 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' HB ' HG22 ' A' ' 61' ' ' THR . 31.7 t -86.57 107.8 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 109.774 -0.454 . . . . 63.34 109.774 -176.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.4 p -84.2 147.99 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 122.926 0.49 . . . . 75.52 111.315 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.9 t -69.54 160.81 30.79 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.547 0.739 . . . . 72.21 111.08 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 t -62.17 -31.27 71.75 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.731 0.812 . . . . 72.41 113.078 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -89.61 -10.81 44.6 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.358 0.663 . . . . 75.21 112.386 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.33 12.25 84.75 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 114.703 0.641 . . . . 75.33 114.703 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 58' ' ' LYS . 5.2 ttpm? -78.8 -36.02 43.38 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.627 0.771 . . . . 71.15 112.2 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.9 p -131.86 165.69 23.27 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.424 0.69 . . . . 64.44 111.604 -175.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.57 131.22 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.187 0.995 . . . . 75.33 110.387 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.41 HG22 ' HB ' ' A' ' 52' ' ' VAL . 11.0 t -88.94 123.59 33.43 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.681 0.753 . . . . 61.12 110.714 175.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.606 HG12 HG21 ' A' ' 72' ' ' VAL . 18.1 mt -116.1 119.3 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.688 1.195 . . . . 72.01 109.7 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.9 m -107.66 129.8 54.98 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.553 -0.536 . . . . 61.0 109.553 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.448 ' HB3' ' HB3' ' A' ' 3' ' ' GLU . 38.3 m-85 -74.27 138.72 43.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.8 0.84 . . . . 62.31 110.982 -170.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.2 153.24 32.33 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 112.411 0.523 . . . . 71.22 112.411 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.55 22.09 0.6 Allowed 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.196 0.999 . . . . 21.34 111.432 171.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -132.3 158.61 41.42 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.039 1.336 . . . . 75.12 109.748 -174.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.0 -8.69 17.03 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.684 0.994 . . . . 73.0 113.684 -178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.5 p -65.33 -10.63 34.53 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 113.751 1.019 . . . . 41.12 113.751 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.65 -31.2 72.32 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.838 0.855 . . . . 64.42 112.633 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.99 133.98 56.64 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.09 0.956 . . . . 64.31 113.348 -172.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.606 HG21 HG12 ' A' ' 62' ' ' ILE . 88.9 t -124.64 117.15 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 N-CA-C 108.796 -0.816 . . . . 74.44 108.796 171.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.47 112.07 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.364 0.665 . . . . 70.42 109.912 -177.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.0 mm -85.81 117.59 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 109.384 -0.599 . . . . 55.13 109.384 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -94.97 119.98 34.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.24 0.616 . . . . 73.12 110.783 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.4 mt -121.33 169.07 10.96 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.664 1.186 . . . . 74.11 109.355 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.431 ' HG2' ' HB2' ' A' ' 44' ' ' GLU . 13.0 ptmm? -143.52 171.4 14.21 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.648 -0.501 . . . . 72.11 109.648 175.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -90.89 146.79 23.62 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.659 -0.65 . . . . 74.15 111.318 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.82 -148.08 16.15 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.763 -0.653 . . . . 71.12 112.458 171.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 122.711 0.404 . . . . 64.41 110.396 175.343 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.335 -0.617 . . . . 73.33 109.335 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.549 ' HG2' ' HB ' ' A' ' 29' ' ' THR . 13.3 mp0 -100.53 140.29 35.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.267 0.627 . . . . 73.53 111.25 -167.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.29 162.6 23.41 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.348 0.594 . . . . 73.11 111.052 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.59 133.6 38.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.866 0.866 . . . . 50.41 109.655 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.7 p -100.03 126.13 46.18 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.321 0.648 . . . . 74.43 110.781 -173.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.57 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 26.4 mt -106.82 101.42 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.923 0.889 . . . . 63.34 109.681 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.3 m -110.24 111.49 22.84 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.336 0.655 . . . . 73.31 110.179 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -73.16 130.15 39.62 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.448 -0.575 . . . . 63.52 109.448 169.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.06 149.24 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.017 0.927 . . . . 63.22 109.694 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -91.07 105.34 17.75 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.524 -0.547 . . . . 70.3 109.524 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.25 -27.19 67.03 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.188 1.395 . . . . 62.12 111.853 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.34 -15.81 62.41 Favored 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 123.315 0.646 . . . . 74.42 111.662 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 17.31 15.72 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.721 0.808 . . . . 61.41 110.846 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.5 18.52 67.87 Favored Glycine 0 CA--C 1.543 1.801 0 N-CA-C 115.501 0.96 . . . . 41.35 115.501 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.43 51.07 0.47 Allowed Glycine 0 N--CA 1.48 1.632 0 CA-C-N 117.516 0.658 . . . . 34.3 114.247 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.33 122.59 37.04 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.048 0.539 . . . . 65.32 110.801 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.43 121.53 12.31 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.028 0.531 . . . . 71.42 112.327 -172.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -95.33 106.01 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 124.118 0.967 . . . . 73.52 109.186 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.51 -104.76 2.0 Allowed Glycine 0 CA--C 1.538 1.5 0 CA-C-O 119.889 -0.395 . . . . 74.4 112.275 -173.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -162.53 -177.88 5.89 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.253 0.621 . . . . 73.11 111.635 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.2 mt -80.99 140.74 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 123.957 0.903 . . . . 64.14 111.831 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 36.0 t -106.4 100.29 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.698 0.799 . . . . 65.21 108.928 172.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -86.11 114.98 23.4 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 121.974 -0.454 . . . . 73.05 109.886 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -104.44 139.51 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.702 0.401 . . . . 60.41 110.095 172.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.8 p -111.62 145.55 38.99 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.915 0.486 . . . . 72.32 111.053 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.78 -141.21 3.14 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 115.272 -0.876 . . . . 63.42 111.572 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -136.06 140.33 43.72 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 117.146 0.473 . . . . 73.3 110.026 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.549 ' HB ' ' HG2' ' A' ' 3' ' ' GLU . 8.9 t -57.96 -20.31 37.02 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 114.358 1.244 . . . . 61.41 114.358 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.57 -38.58 84.3 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.814 0.846 . . . . 64.04 111.576 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -110.31 165.07 12.07 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 122.004 0.907 . . . . 75.12 112.895 -171.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 63' ' ' THR . 88.1 p -114.36 170.23 8.45 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.123 -1.399 . . . . 72.45 110.67 173.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.5 t -137.39 160.82 37.99 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.615 0.766 . . . . 55.01 110.571 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 p -109.3 128.48 55.12 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.454 0.701 . . . . 74.41 109.887 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -121.89 122.53 39.61 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.404 0.682 . . . . 70.25 109.982 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -76.47 122.73 24.96 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.85 -0.426 . . . . 73.14 109.85 174.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.6 t -74.36 125.26 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 N-CA-C 108.966 -0.754 . . . . 74.44 108.966 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 p -105.94 113.59 27.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.459 0.704 . . . . 72.42 109.578 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mm -92.64 109.21 37.2 Favored Pre-proline 0 N--CA 1.484 1.265 0 C-N-CA 122.932 0.493 . . . . 65.23 110.027 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HD2' HD13 ' A' ' 76' ' ' LEU . 48.1 Cg_endo -65.8 145.85 81.87 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 122.463 2.109 . . . . 51.35 112.1 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.8 113.8 1.63 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.342 1.057 . . . . 54.21 112.122 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.47 -6.86 28.3 Favored Glycine 0 N--CA 1.481 1.639 0 C-N-CA 122.967 0.318 . . . . 75.02 113.731 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -109.11 161.08 15.54 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.552 0.741 . . . . 72.5 111.392 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -127.98 144.09 51.1 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.2 1.0 . . . . 74.41 109.857 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -69.85 132.52 46.16 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 122.858 0.463 . . . . 73.22 111.863 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.1 t -108.69 -61.75 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.399 0.68 . . . . 75.2 111.44 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.61 165.24 37.66 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-O 120.054 -0.303 . . . . 64.11 113.446 -174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.7 m -121.79 138.7 54.27 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.38 0.672 . . . . 65.41 111.508 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.589 ' HB2' ' HB ' ' A' ' 73' ' ' VAL . 22.2 m-20 -110.55 154.32 23.88 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.711 1.204 . . . . 75.21 110.437 178.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.66 -70.06 3.24 Favored Glycine 0 N--CA 1.479 1.5 0 N-CA-C 113.784 0.273 . . . . 63.21 113.784 172.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.58 -179.33 52.91 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 122.611 0.148 . . . . 63.34 113.263 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.1 t -105.33 115.31 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.282 0.633 . . . . 74.55 109.731 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.3 p -83.86 147.62 5.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 CA-C-O 121.123 0.487 . . . . 71.14 111.176 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -72.59 163.3 28.27 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.577 0.751 . . . . 64.23 112.098 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.0 p -58.99 -35.66 73.61 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.599 1.159 . . . . 75.24 113.075 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.99 -13.13 51.58 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.239 0.615 . . . . 72.12 112.094 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.37 6.58 80.79 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 114.767 0.667 . . . . 54.35 114.767 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -80.88 -35.94 31.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.511 0.724 . . . . 72.34 111.398 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.8 p -126.06 162.09 26.11 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.814 0.846 . . . . 73.54 111.461 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.6 p -130.81 122.87 53.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 C-N-CA 124.55 1.14 . . . . 75.43 109.782 174.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.8 m -77.38 108.85 10.82 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.445 -0.576 . . . . 75.41 109.445 171.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.437 HG12 HG21 ' A' ' 72' ' ' VAL . 21.4 mt -104.71 110.3 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.699 0.8 . . . . 74.32 110.076 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 12.4 m -91.76 148.43 22.25 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 108.905 -0.776 . . . . 74.42 108.905 175.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -88.39 141.64 28.38 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.895 -0.503 . . . . 75.34 111.164 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.03 153.19 42.71 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.916 0.886 . . . . 71.33 110.223 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.4 -18.81 65.57 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.464 0.705 . . . . 12.33 112.035 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -116.12 -173.2 2.32 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 124.554 1.142 . . . . 70.21 111.575 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -90.63 13.39 16.11 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.095 1.146 . . . . 73.21 114.095 -170.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.8 t -62.54 -24.36 67.47 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 113.524 0.935 . . . . 74.44 113.524 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -116.84 10.09 14.07 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.584 0.754 . . . . 61.13 112.014 -173.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.416 HD22 ' N ' ' A' ' 71' ' ' ASN . 0.8 OUTLIER -70.16 116.48 10.58 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.096 0.558 . . . . 44.31 109.694 175.097 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 99.4 t -88.47 126.17 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.53 0.732 . . . . 51.14 111.686 -167.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.589 ' HB ' ' HB2' ' A' ' 49' ' ' ASP . 72.9 t -118.5 103.21 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 108.997 -0.742 . . . . 54.32 108.997 174.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.5 mt -89.14 125.86 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.462 0.705 . . . . 71.22 110.466 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -98.09 125.64 43.18 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.2 1.0 . . . . 74.44 109.994 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.479 HD13 ' HD2' ' A' ' 40' ' ' PRO . 57.5 mt -128.04 134.87 49.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.239 0.616 . . . . 74.55 109.807 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -102.63 172.68 6.71 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 109.965 -0.383 . . . . 72.13 109.965 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -87.94 142.43 27.8 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.938 -0.393 . . . . 50.22 109.938 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.77 116.63 8.47 Favored Glycine 0 C--N 1.349 1.279 0 N-CA-C 111.124 -0.791 . . . . 72.04 111.124 170.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.487 1.383 0 C-N-CA 123.389 0.675 . . . . 75.11 112.74 -163.849 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 CA--C 1.555 1.136 0 CA-C-O 121.245 0.545 . . . . 64.31 110.874 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -98.71 138.47 35.83 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.338 0.655 . . . . 74.41 110.19 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -113.17 148.83 34.62 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-O 121.417 0.627 . . . . 65.02 112.418 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.454 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -114.02 135.96 53.44 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.65 1.18 . . . . 64.21 110.083 176.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -111.53 126.72 55.28 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.526 0.73 . . . . 71.12 111.083 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.71 123.55 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.76 0.824 . . . . 71.5 109.938 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.2 m -121.28 115.47 23.05 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.08 0.552 . . . . 72.11 110.608 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -75.83 135.32 40.22 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.96 0.504 . . . . 73.43 109.966 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.19 150.2 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 123.392 0.677 . . . . 71.21 111.158 -177.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -105.63 111.83 24.67 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.314 0.646 . . . . 75.35 110.509 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.07 -24.92 68.13 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.815 1.246 . . . . 72.11 113.441 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -86.51 -3.75 59.06 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 112.367 0.506 . . . . 70.52 112.367 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -124.09 23.66 8.41 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.549 0.74 . . . . 63.22 110.48 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.61 35.01 79.91 Favored Glycine 0 C--N 1.351 1.369 0 CA-C-N 116.093 -0.503 . . . . 72.21 114.208 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.9 40.66 43.55 Favored Glycine 0 CA--C 1.541 1.677 0 N-CA-C 114.33 0.492 . . . . 74.22 114.33 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.59 145.64 30.53 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 117.44 0.62 . . . . 74.1 111.527 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -60.73 123.22 16.83 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 113.093 0.775 . . . . 64.31 113.093 -173.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.1 t -93.59 106.14 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 123.788 0.835 . . . . 64.55 109.249 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.8 -96.98 0.47 Allowed Glycine 0 CA--C 1.536 1.372 0 N-CA-C 114.726 0.65 . . . . 72.42 114.726 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.54 159.31 29.43 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 113.349 0.87 . . . . 72.4 113.349 -163.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.3 mt -106.75 123.4 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.012 0.925 . . . . 64.25 108.551 163.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.96 108.44 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.667 0.787 . . . . 65.13 110.509 -176.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 m -98.07 106.4 18.69 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.696 -0.483 . . . . 71.01 109.696 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -104.01 141.08 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.12 0.568 . . . . 45.31 110.116 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.4 m -121.99 135.07 54.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.863 -0.523 . . . . 64.12 111.893 -173.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.68 -110.54 0.41 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 111.079 -0.808 . . . . 64.31 111.079 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 82.5 tttt -155.73 151.59 27.52 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.221 0.608 . . . . 74.33 110.161 173.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.3 t -58.29 -24.29 59.06 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 113.342 0.867 . . . . 62.1 113.342 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.98 -36.74 64.56 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.921 0.888 . . . . 71.23 110.986 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -85.76 158.91 19.89 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.046 0.938 . . . . 72.11 112.189 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.1 p -133.46 159.53 40.08 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.879 0.871 . . . . 73.04 111.066 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -137.29 161.26 36.72 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.8 0.84 . . . . 72.23 110.983 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.1 p -119.21 110.61 17.22 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.787 0.835 . . . . 73.02 110.119 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -101.31 138.2 38.64 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.781 0.832 . . . . 72.1 110.913 -176.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.3 t -86.56 138.43 31.72 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 121.033 0.444 . . . . 62.14 111.567 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.502 HG13 HG21 ' A' ' 74' ' ' ILE . 89.1 t -76.48 127.31 37.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.353 0.661 . . . . 73.21 110.186 176.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.0 m -99.35 106.1 18.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.145 0.978 . . . . 74.42 109.488 -175.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.6 mm -90.33 113.68 58.34 Favored Pre-proline 0 CA--C 1.559 1.292 0 C-N-CA 123.434 0.694 . . . . 71.11 110.705 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.47 162.65 33.11 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.813 2.342 . . . . 63.02 112.695 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.59 119.33 14.59 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.761 0.824 . . . . 45.2 111.527 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.15 12.21 63.74 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 116.122 -0.49 . . . . 33.51 113.716 -176.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -123.1 146.33 47.81 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.691 0.796 . . . . 63.32 110.847 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' HG2' ' HA3' ' A' ' 79' ' ' GLY . 49.1 mm-40 -119.07 149.33 41.86 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.909 0.884 . . . . 62.43 110.36 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -69.79 132.05 45.47 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.202 0.601 . . . . 74.43 111.746 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.9 t -107.09 -60.37 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.264 0.626 . . . . 73.25 111.386 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.25 -175.37 35.84 Favored Glycine 0 N--CA 1.483 1.821 0 N-CA-C 113.82 0.288 . . . . 55.11 113.82 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.4 m -148.75 138.35 21.96 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.911 0.885 . . . . 72.31 110.844 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -122.69 153.7 39.07 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.499 1.12 . . . . 74.42 111.089 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.51 -71.57 1.14 Allowed Glycine 0 N--CA 1.477 1.402 0 CA-C-N 116.636 -0.256 . . . . 32.52 113.268 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.2 -172.8 43.42 Favored Glycine 0 CA--C 1.535 1.313 0 N-CA-C 113.637 0.215 . . . . 40.21 113.637 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.09 150.49 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.252 0.621 . . . . 74.31 109.567 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.18 149.38 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.072 0.549 . . . . 74.23 111.547 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -72.02 159.72 33.72 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.837 0.855 . . . . 74.31 111.808 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.3 m -69.16 -24.09 64.03 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.347 0.659 . . . . 74.1 111.548 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -81.64 -19.85 40.87 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.441 0.696 . . . . 75.2 111.317 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.21 11.87 59.7 Favored Glycine 0 C--N 1.355 1.626 0 N-CA-C 115.018 0.767 . . . . 72.1 115.018 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -90.35 -17.16 27.8 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.614 0.766 . . . . 70.0 112.108 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 69.4 p -133.49 153.63 51.47 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.692 0.797 . . . . 73.32 110.332 172.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.8 m -130.69 122.67 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 C-N-CA 125.078 1.351 . . . . 64.4 109.501 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.0 m -86.09 105.93 16.86 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.321 0.581 . . . . 74.22 109.851 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.498 HG12 HG21 ' A' ' 72' ' ' VAL . 50.0 mt -107.89 110.46 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.43 1.092 . . . . 61.05 110.919 -171.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.1 m -90.66 129.25 36.79 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.782 -0.821 . . . . 73.2 108.782 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 56.1 m-85 -65.32 149.64 49.63 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.981 -0.377 . . . . 75.24 109.981 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.19 151.23 32.74 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.944 0.402 . . . . 33.51 112.055 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.88 -4.65 57.05 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 115.687 -0.688 . . . . 54.42 110.311 163.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -97.4 163.98 12.65 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 125.36 1.464 . . . . 71.52 110.644 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.62 -2.81 15.49 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 113.959 1.096 . . . . 75.31 113.959 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.2 m -71.38 1.81 5.77 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 113.096 0.776 . . . . 71.2 113.096 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.454 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 4.8 p-10 -76.61 -25.61 54.07 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.691 0.797 . . . . 75.14 111.284 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -70.97 101.42 2.18 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.746 0.819 . . . . 70.22 110.924 -174.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.498 HG21 HG12 ' A' ' 62' ' ' ILE . 97.9 t -101.33 117.46 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.594 -0.521 . . . . 62.45 109.594 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.65 107.16 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.396 0.678 . . . . 54.42 109.911 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.502 HG21 HG13 ' A' ' 37' ' ' VAL . 71.2 mt -92.53 117.26 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.12 0.568 . . . . 61.1 109.83 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -85.47 137.52 32.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.516 1.126 . . . . 74.42 111.567 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -139.35 141.89 37.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.042 1.337 . . . . 65.23 110.05 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -125.43 173.29 8.99 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.276 0.63 . . . . 73.4 110.034 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -82.65 122.68 28.44 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 122.754 0.422 . . . . 72.3 111.151 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.414 ' HA3' ' HG2' ' A' ' 44' ' ' GLU . . . -111.94 36.54 4.11 Favored Glycine 0 N--CA 1.473 1.121 0 N-CA-C 111.088 -0.805 . . . . 64.1 111.088 174.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 124.234 1.014 . . . . 73.24 111.23 -172.811 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 CA--C 1.551 0.983 0 N-CA-C 109.753 -0.462 . . . . 73.42 109.753 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -97.53 139.61 33.19 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 110.145 -0.316 . . . . 75.24 110.145 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -102.32 167.36 10.03 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.486 0.55 . . . . 72.33 112.486 -174.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -139.39 146.87 40.72 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.371 1.069 . . . . 74.44 110.388 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 m -108.69 136.64 47.94 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.839 0.856 . . . . 50.54 110.864 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.3 mp -118.63 133.45 65.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 108.385 -0.968 . . . . 61.32 108.385 170.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.4 m -144.45 112.65 6.43 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.996 0.518 . . . . 60.5 110.739 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.442 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 41.0 m-85 -74.67 146.78 42.06 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.123 0.569 . . . . 75.54 110.346 173.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -145.39 144.69 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 C-N-CA 124.565 1.146 . . . . 72.51 109.555 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -90.92 113.45 25.67 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.808 0.443 . . . . 73.31 110.637 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.33 -23.39 66.99 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.71 0.404 . . . . 62.42 110.755 168.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.596 ' HB2' ' HG3' ' A' ' 77' ' ' LYS . 25.8 t70 -62.13 -34.74 76.95 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.891 1.276 . . . . 75.15 111.68 171.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.88 28.6 7.81 Favored 'General case' 0 CA--C 1.566 1.569 0 C-N-CA 123.68 0.792 . . . . 72.34 110.918 -173.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.37 27.59 72.5 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 115.294 0.878 . . . . 51.11 115.294 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.82 27.5 45.99 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 114.02 0.368 . . . . 73.34 114.02 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 133.53 36.18 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.344 0.658 . . . . 21.41 111.922 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -61.71 133.09 55.14 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 113.533 0.938 . . . . 74.11 113.533 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 76' ' ' LEU . 46.7 t -87.47 105.53 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.835 0.854 . . . . 74.52 109.629 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.19 -134.31 33.92 Favored Glycine 0 CA--C 1.542 1.747 0 N-CA-C 114.462 0.545 . . . . 53.15 114.462 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -96.53 -172.84 2.6 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.798 0.839 . . . . 74.43 112.461 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.4 mt -104.31 136.9 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 124.34 1.056 . . . . 74.43 110.25 173.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.516 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 44.2 t -96.24 148.47 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.288 0.635 . . . . 73.13 109.818 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.7 m -136.51 133.63 36.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.931 -0.481 . . . . 74.11 111.244 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.46 164.16 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.722 0.809 . . . . 73.04 110.059 173.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -134.27 149.16 50.9 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.918 0.487 . . . . 53.13 111.645 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.7 -121.23 0.64 Allowed Glycine 0 CA--C 1.533 1.17 0 CA-C-N 115.741 -0.663 . . . . 62.32 112.196 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HG3' ' H ' ' A' ' 30' ' ' ASP . 23.6 tptm -157.49 149.11 22.02 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 117.67 0.735 . . . . 51.41 111.616 -174.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.1 p -50.5 -41.99 54.13 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.397 1.079 . . . . 63.23 113.466 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.433 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 16.3 m-20 -64.5 -33.0 74.87 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.41 0.684 . . . . 71.4 112.323 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -103.94 149.92 24.67 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.625 0.726 . . . . 65.13 112.824 -169.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.7 p -106.97 152.91 23.34 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.223 1.009 . . . . 60.01 110.191 173.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 t -128.1 156.74 42.34 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.442 0.697 . . . . 71.44 111.015 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.2 p -110.7 115.51 29.7 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.244 0.618 . . . . 73.41 110.454 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -95.6 130.68 42.38 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.884 0.874 . . . . 73.43 109.931 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -83.59 115.96 22.37 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.363 0.529 . . . . 71.43 110.29 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.94 116.74 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 C-N-CA 123.237 0.615 . . . . 74.54 110.004 176.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -99.7 116.26 31.38 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.499 0.719 . . . . 55.41 109.722 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.1 mm -86.33 108.28 16.91 Favored Pre-proline 0 CA--C 1.563 1.461 0 C-N-CA 123.208 0.603 . . . . 74.11 110.367 -177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.19 161.59 44.12 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.955 2.436 . . . . 64.22 113.462 -176.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.98 118.63 11.42 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.53 0.732 . . . . 75.53 111.596 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.79 -7.38 67.77 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-N 116.152 -0.476 . . . . 72.43 113.337 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -108.09 137.13 46.6 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.118 0.967 . . . . 75.01 109.681 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -117.05 134.37 54.84 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.686 0.794 . . . . 70.44 110.355 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.408 ' OH ' HG21 ' A' ' 53' ' ' VAL . 86.8 t80 -64.7 114.1 4.21 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.68 0.392 . . . . 73.21 110.987 177.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.5 t -97.38 -50.87 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.249 0.62 . . . . 71.31 110.784 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.19 -173.98 38.62 Favored Glycine 0 N--CA 1.472 1.061 0 CA-C-N 116.06 -0.518 . . . . 73.41 113.396 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 m -138.85 142.51 38.63 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.586 0.754 . . . . 72.44 110.626 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -123.07 150.97 42.46 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.892 1.277 . . . . 61.43 109.897 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.72 -76.22 2.13 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 113.622 0.209 . . . . 73.25 113.622 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.415 ' H ' HG13 ' A' ' 72' ' ' VAL . . . -86.8 178.18 48.43 Favored Glycine 0 N--CA 1.477 1.416 0 N-CA-C 113.924 0.33 . . . . 64.11 113.924 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.0 t -94.9 107.35 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.682 -0.488 . . . . 74.25 109.682 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.408 HG21 ' OH ' ' A' ' 45' ' ' TYR . 10.2 p -80.56 148.99 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 CA-C-O 121.117 0.484 . . . . 71.24 111.829 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 t -67.85 160.16 28.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.334 0.654 . . . . 75.21 111.109 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.7 p -56.47 -37.39 70.24 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.882 0.873 . . . . 74.24 113.01 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.64 -18.33 35.75 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.15 0.58 . . . . 72.4 112.514 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.23 16.73 80.44 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 114.065 0.386 . . . . 54.14 114.065 -170.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -79.61 -26.15 41.27 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 122.956 0.502 . . . . 45.43 111.36 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.1 p -141.75 162.9 34.34 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.645 1.178 . . . . 75.02 111.206 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 72' ' ' VAL . 69.5 t -132.36 127.08 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 124.236 1.014 . . . . 71.31 110.155 172.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.6 m -78.27 104.91 9.16 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.101 0.56 . . . . 74.41 109.769 170.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.518 HG12 HG21 ' A' ' 72' ' ' VAL . 36.1 mt -98.36 133.86 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.887 0.875 . . . . 74.43 109.19 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.1 m -121.91 131.05 53.82 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.429 -0.582 . . . . 60.34 109.429 173.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -73.44 116.22 13.75 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.694 0.798 . . . . 74.23 111.633 -168.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.673 ' HB3' ' HB3' ' A' ' 69' ' ' SER . . . -148.97 114.64 5.64 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.019 0.528 . . . . 71.32 110.484 177.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.62 3.64 2.33 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 114.157 1.169 . . . . 71.44 114.157 -176.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.36 45.17 1.22 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.716 0.807 . . . . 74.41 111.08 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 57.33 25.18 10.9 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.556 1.542 . . . . 74.43 113.303 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.673 ' HB3' ' HB3' ' A' ' 65' ' ' ALA . 44.6 t -101.21 -9.61 21.12 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.258 0.623 . . . . 73.55 111.374 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.4 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 9.2 p-10 -76.51 -26.36 55.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.035 0.934 . . . . 73.31 112.251 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -84.96 126.51 33.58 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 121.442 0.639 . . . . 74.14 111.746 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 60' ' ' VAL . 59.6 t -118.18 120.81 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.882 1.273 . . . . 64.45 109.734 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.92 107.84 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.096 0 C-N-CA 123.125 0.57 . . . . 52.11 110.838 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.9 mm -84.53 142.36 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 109.564 -0.532 . . . . 75.23 109.564 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -111.67 132.49 54.56 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.14 0.576 . . . . 51.2 111.58 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.526 HD12 HG21 ' A' ' 19' ' ' VAL . 98.5 mt -133.05 168.27 18.79 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.932 1.293 . . . . 65.15 110.75 -176.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.596 ' HG3' ' HB2' ' A' ' 13' ' ' ASP . 79.7 tttt -146.17 143.8 29.52 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 120.9 0.381 . . . . 65.03 111.802 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -84.95 124.3 31.51 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.933 0.493 . . . . 55.04 110.411 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.46 135.75 5.77 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 114.072 0.389 . . . . 61.1 114.072 -177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 CA--C 1.565 1.531 0 C-N-CA 123.846 0.858 . . . . 73.11 112.337 171.781 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.561 1.402 0 N-CA-C 108.035 -1.098 . . . . 71.01 108.035 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -91.41 158.29 16.6 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.226 1.01 . . . . 61.11 112.547 -163.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -97.54 162.29 13.37 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.488 0.661 . . . . 63.44 112.493 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -141.82 117.94 10.67 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 114.63 -1.168 . . . . 74.33 108.171 168.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.9 m -104.52 125.03 50.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.467 0.707 . . . . 70.22 111.698 -169.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.67 126.97 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 123.654 0.782 . . . . 71.11 108.924 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.6 m -131.53 112.09 12.34 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.75 0.309 . . . . 74.44 111.421 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -80.06 128.23 33.25 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.999 0.519 . . . . 73.34 109.701 170.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.96 154.63 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 124.395 1.078 . . . . 63.24 109.554 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -106.29 122.86 47.09 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 121.591 0.71 . . . . 71.21 112.05 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.24 -38.39 26.49 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 126.066 1.746 . . . . 44.33 113.332 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.91 -33.45 75.74 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.759 0.824 . . . . 54.42 112.965 -171.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.578 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -113.11 30.69 6.99 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.671 0.788 . . . . 73.33 110.852 -176.173 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.49 28.32 72.52 Favored Glycine 0 CA--C 1.534 1.258 0 N-CA-C 114.977 0.751 . . . . 52.31 114.977 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.49 55.22 2.5 Favored Glycine 0 CA--C 1.534 1.235 0 N-CA-C 114.066 0.386 . . . . 55.44 114.066 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.73 140.0 31.96 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.151 0.475 . . . . 73.31 110.838 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.571 HE21 ' HA ' ' A' ' 21' ' ' ASP . 44.3 tt0 -61.45 125.17 22.82 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.981 0.913 . . . . 74.53 113.127 -173.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.6 t -98.7 110.27 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.386 1.074 . . . . 75.53 109.26 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.28 -110.16 3.05 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 112.091 -0.404 . . . . 65.43 112.091 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.571 ' HA ' HE21 ' A' ' 18' ' ' GLN . 3.5 p30 -149.61 178.65 8.65 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.398 0.618 . . . . 74.14 112.06 175.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.4 mt -92.94 128.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 C-N-CA 123.709 0.804 . . . . 74.42 110.862 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.4 t -100.71 101.85 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.617 0.767 . . . . 63.31 109.478 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -108.25 117.79 35.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 122.01 -0.432 . . . . 61.53 110.262 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.62 156.74 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.482 0.713 . . . . 72.1 111.348 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.2 p -111.65 151.1 29.23 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 122.979 0.512 . . . . 65.21 111.957 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.14 -137.45 2.45 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-N 115.836 -0.62 . . . . 74.35 112.619 -175.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -134.28 149.39 50.92 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.445 0.698 . . . . 74.51 110.497 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.0 p -48.07 -46.41 33.62 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.792 0.837 . . . . 73.42 113.235 172.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.08 -25.64 55.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.465 0.706 . . . . 73.33 112.088 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.89 152.35 21.29 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.587 0.708 . . . . 75.31 112.275 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -138.26 167.5 21.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.288 1.035 . . . . 61.12 110.276 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -148.97 161.08 42.63 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.463 0.705 . . . . 72.2 111.236 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.0 p -111.95 116.01 29.9 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.098 0.559 . . . . 63.3 109.919 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -99.43 123.17 43.47 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.322 1.049 . . . . 74.2 110.106 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -73.42 126.78 30.95 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.006 0.431 . . . . 62.52 110.834 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.62 127.52 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.366 0.666 . . . . 75.22 109.742 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.9 m -110.7 107.65 17.28 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.129 0.972 . . . . 34.11 110.235 -172.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.4 mm -90.74 111.57 48.58 Favored Pre-proline 0 CA--C 1.562 1.44 0 C-N-CA 123.606 0.762 . . . . 74.01 110.474 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.48 162.54 39.81 Favored 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 123.224 2.616 . . . . 41.34 113.491 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.06 128.67 36.72 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.489 0.716 . . . . 74.13 111.511 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.63 6.56 83.03 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 116.116 -0.493 . . . . 24.33 113.759 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . 82.1 m-85 -119.91 141.66 49.41 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.752 0.821 . . . . 74.3 110.415 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -120.76 123.19 42.05 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.255 1.022 . . . . 72.12 109.669 -173.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.443 ' HA ' HD23 ' A' ' 76' ' ' LEU . 70.5 t80 -58.81 129.23 41.13 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.903 0.705 . . . . 75.42 112.903 -176.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.91 -65.71 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 124.064 0.945 . . . . 75.44 110.167 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.72 167.69 40.03 Favored Glycine 0 C--N 1.343 0.952 0 CA-C-N 115.506 -0.77 . . . . 32.25 112.817 -172.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.4 m -118.97 135.37 54.64 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.348 1.059 . . . . 75.53 109.884 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.78 150.68 35.03 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.819 0.848 . . . . 63.21 110.397 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.07 -69.65 1.35 Allowed Glycine 0 CA--C 1.532 1.127 0 CA-C-N 116.356 -0.384 . . . . 72.14 113.424 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' N ' HG22 ' A' ' 72' ' ' VAL . . . -90.68 -173.78 44.31 Favored Glycine 0 N--CA 1.476 1.365 0 N-CA-C 113.867 0.307 . . . . 65.11 113.867 -177.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -102.28 112.25 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 C-N-CA 123.176 0.59 . . . . 75.13 109.531 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.403 HG21 ' OH ' ' A' ' 45' ' ' TYR . 9.9 p -84.51 154.67 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-O 121.395 0.616 . . . . 62.03 111.608 -175.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.7 t -63.27 160.07 16.54 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.862 1.265 . . . . 63.32 112.167 172.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.4 m -67.57 -33.9 75.96 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.392 0.677 . . . . 74.43 111.251 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.59 -13.26 43.3 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.698 0.799 . . . . 73.45 111.789 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.93 23.64 77.48 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-N 116.542 -0.299 . . . . 64.2 113.214 -172.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -79.4 -25.1 42.17 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.237 0.615 . . . . 71.23 112.18 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 t -151.49 172.34 16.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.696 0.798 . . . . 65.23 110.919 -175.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 HG11 ' A' ' 72' ' ' VAL . 3.7 p -147.13 127.88 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 124.161 0.985 . . . . 73.2 110.525 177.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -79.79 107.92 12.95 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.134 0.573 . . . . 70.42 109.869 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.575 HG12 HG21 ' A' ' 72' ' ' VAL . 30.0 mt -112.8 133.44 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.378 1.071 . . . . 62.42 110.677 -177.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.4 m -113.82 143.51 44.54 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.188 0.595 . . . . 25.14 110.328 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -78.63 139.91 38.49 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.562 0.745 . . . . 74.25 110.804 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.05 140.2 32.52 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.099 0.407 . . . . 72.25 112.099 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.79 -17.85 58.78 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.164 0.586 . . . . 64.24 110.895 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -93.08 179.61 5.38 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.893 0.877 . . . . 63.43 109.628 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -83.85 28.76 0.57 Allowed 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 123.425 0.69 . . . . 73.13 111.891 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -90.03 -3.38 58.0 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.333 1.053 . . . . 63.24 111.937 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.492 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 9.8 p-10 -81.33 -40.57 23.37 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.418 1.087 . . . . 64.22 113.536 -175.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -66.44 121.4 15.22 Favored 'General case' 0 CA--C 1.557 1.214 0 N-CA-C 113.848 1.055 . . . . 75.53 113.848 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.575 HG21 HG12 ' A' ' 62' ' ' ILE . 76.0 t -110.05 125.01 67.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 125.428 1.491 . . . . 63.31 110.175 175.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.92 120.24 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.344 0.658 . . . . 71.23 111.072 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.0 mm -92.74 137.47 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 124.043 0.937 . . . . 71.51 109.45 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -116.0 139.54 50.16 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 123.459 0.704 . . . . 72.51 111.168 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.445 ' HB3' ' HB3' ' A' ' 43' ' ' TYR . 40.7 mt -139.16 139.07 37.48 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 123.936 0.894 . . . . 63.44 111.897 -175.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -93.36 159.32 15.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.721 -1.237 . . . . 71.22 110.047 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -84.12 149.98 25.84 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 122.057 -0.402 . . . . 64.4 110.932 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.87 96.9 1.92 Allowed Glycine 0 CA--C 1.532 1.105 0 CA-C-N 116.028 -0.533 . . . . 71.41 112.066 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 CA--C 1.557 1.244 0 C-N-CA 123.151 0.581 . . . . 72.13 110.617 179.211 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 108.468 -0.938 . . . . 74.13 108.468 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -92.25 140.56 29.49 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.911 -0.493 . . . . 64.42 110.629 -168.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -117.38 155.06 30.25 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.217 0.607 . . . . 62.5 111.665 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.87 133.11 39.34 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.966 0.907 . . . . 65.44 109.611 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.5 p -112.54 136.14 52.42 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.175 0.59 . . . . 61.34 111.487 -169.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.04 115.2 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 123.614 0.766 . . . . 71.02 109.413 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.3 m -112.94 112.88 24.67 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.322 0.649 . . . . 72.13 110.806 -176.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -78.88 136.59 37.34 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.274 0.63 . . . . 72.54 109.951 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.0 145.29 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 C-N-CA 123.712 0.805 . . . . 72.54 111.103 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -106.65 127.12 53.09 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.445 0.698 . . . . 74.55 111.492 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.66 -38.39 89.21 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.566 1.147 . . . . 62.22 112.002 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -78.76 0.71 25.78 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.402 0.681 . . . . 74.21 112.582 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.88 18.29 14.04 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 123.303 0.641 . . . . 73.15 109.953 172.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.87 37.55 60.84 Favored Glycine 0 C--N 1.354 1.554 0 N-CA-C 114.214 0.446 . . . . 44.35 114.214 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.09 32.26 69.32 Favored Glycine 0 CA--C 1.54 1.633 0 N-CA-C 113.67 0.228 . . . . 71.0 113.67 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.65 147.39 27.72 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.184 0.594 . . . . 64.52 111.974 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.488 HE21 ' HA ' ' A' ' 21' ' ' ASP . 49.7 tt0 -61.28 125.05 22.37 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 123.462 0.705 . . . . 55.22 112.683 -175.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.2 t -92.12 110.35 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.994 0.918 . . . . 75.02 109.357 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.72 -104.01 1.46 Allowed Glycine 0 CA--C 1.535 1.329 0 CA-C-N 116.247 -0.433 . . . . 62.11 113.334 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.488 ' HA ' HE21 ' A' ' 18' ' ' GLN . 38.9 t70 -149.98 155.72 40.45 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 123.161 0.584 . . . . 63.41 111.383 -172.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.32 139.86 17.42 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 C-N-CA 124.077 0.951 . . . . 74.12 111.044 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.74 102.8 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.194 0.998 . . . . 75.33 110.276 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.9 m -94.85 137.99 33.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.87 -0.519 . . . . 55.2 110.95 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -124.09 139.89 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.907 0.883 . . . . 64.22 110.097 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -121.19 136.12 55.03 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 123.006 0.522 . . . . 73.53 111.608 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.31 -133.5 1.63 Allowed Glycine 0 CA--C 1.536 1.378 0 CA-C-N 115.559 -0.746 . . . . 60.24 111.882 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -135.87 151.52 50.1 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 117.842 0.821 . . . . 73.14 111.155 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.3 m -57.91 -29.82 65.4 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.029 0.932 . . . . 71.31 113.124 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.62 -33.12 73.38 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.748 0.819 . . . . 60.13 112.771 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -115.19 153.47 30.77 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.522 0.729 . . . . 75.34 111.889 -177.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 p -115.88 148.65 39.75 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.803 0.841 . . . . 63.12 111.178 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -116.03 138.42 51.24 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.182 0.993 . . . . 62.51 110.513 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -102.42 109.1 20.64 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.84 -0.538 . . . . 73.11 109.725 176.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -91.36 133.18 35.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.838 0.855 . . . . 73.32 110.837 -175.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -83.67 124.02 30.41 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.167 0.587 . . . . 72.55 110.871 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.0 t -76.53 126.91 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 123.407 0.683 . . . . 62.25 110.552 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 m -113.52 106.03 14.07 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.133 0.973 . . . . 70.04 109.976 -172.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.5 mm -91.64 111.33 48.79 Favored Pre-proline 0 CA--C 1.563 1.466 0 C-N-CA 122.959 0.504 . . . . 61.22 110.887 -175.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.66 163.67 36.76 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.812 2.341 . . . . 63.43 114.098 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.77 131.47 48.97 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.072 0.949 . . . . 71.5 112.352 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.515 ' HA2' ' HB3' ' A' ' 80' ' ' LEU . . . 96.04 -21.36 45.52 Favored Glycine 0 C--N 1.349 1.285 0 CA-C-N 116.195 -0.457 . . . . 41.22 112.9 -177.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -108.97 164.15 12.66 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.691 0.796 . . . . 72.31 111.037 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' HB2' ' HA3' ' A' ' 79' ' ' GLY . 3.9 tm-20 -149.92 141.88 23.86 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.939 0.896 . . . . 62.4 109.196 -172.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -71.28 130.24 40.9 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 113.254 0.835 . . . . 74.34 113.254 -172.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.48 -62.72 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 123.423 0.689 . . . . 74.51 110.603 172.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.32 -173.97 37.38 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 116.03 -0.532 . . . . 74.33 113.176 -171.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.626 HG23 HG13 ' A' ' 72' ' ' VAL . 12.8 m -134.16 138.81 45.43 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.96 0.904 . . . . 72.21 110.76 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.487 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 32.1 t70 -123.07 102.98 8.29 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.522 0.729 . . . . 75.34 110.02 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.71 147.7 12.65 Favored Glycine 0 N--CA 1.48 1.608 0 CA-C-O 119.899 -0.39 . . . . 52.21 112.272 -172.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.47 -163.98 52.85 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 117.368 0.584 . . . . 72.54 113.964 -176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.24 107.74 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 123.551 0.74 . . . . 63.31 109.595 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.502 HG23 HG22 ' A' ' 60' ' ' VAL . 12.3 p -87.63 151.65 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 CA-C-O 121.229 0.538 . . . . 62.22 112.131 -176.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 t -69.74 150.47 46.9 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.904 0.882 . . . . 72.02 110.614 169.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.9 m -61.15 -29.48 69.81 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.327 0.651 . . . . 75.14 111.983 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.452 ' HB2' ' HG2' ' A' ' 58' ' ' LYS . 4.2 m-20 -82.47 -18.39 41.89 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.929 0.892 . . . . 71.03 111.873 178.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.13 22.55 78.5 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 113.736 0.254 . . . . 75.15 113.736 -173.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.452 ' HG2' ' HB2' ' A' ' 56' ' ' ASP . 11.3 ptmm? -82.62 -34.97 27.4 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.879 0.872 . . . . 70.41 112.29 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 p -145.34 148.33 33.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.446 1.098 . . . . 73.0 110.634 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.502 HG22 HG23 ' A' ' 53' ' ' VAL . 47.1 t -124.27 123.15 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.601 0.76 . . . . 74.34 109.642 174.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.7 m -71.64 110.41 6.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.229 0.612 . . . . 73.21 110.062 169.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.94 146.26 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.437 1.095 . . . . 73.33 109.465 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.6 m -122.13 144.16 49.11 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 109.021 -0.733 . . . . 74.24 109.021 172.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -68.54 113.33 5.98 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 120.946 0.403 . . . . 75.34 110.973 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.56 141.33 47.66 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.395 0.678 . . . . 41.14 111.166 -171.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.18 17.94 1.52 Allowed 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 112.765 0.654 . . . . 55.54 112.765 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -149.97 -173.14 4.34 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.101 0.96 . . . . 71.25 111.111 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -83.03 -0.08 47.24 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 114.56 1.319 . . . . 64.45 114.56 -171.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -55.16 -37.84 67.52 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 112.737 0.643 . . . . 75.22 112.737 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -118.58 5.79 11.66 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.773 0.829 . . . . 72.24 112.066 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -75.63 102.81 5.48 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.666 -0.865 . . . . 72.53 108.666 167.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.626 HG13 HG23 ' A' ' 48' ' ' THR . 74.9 t -87.86 119.73 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 123.969 0.908 . . . . 52.0 111.147 -167.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 55.6 t -101.92 106.37 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 108.994 -0.743 . . . . 73.11 108.994 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 mm -84.21 111.3 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.716 -0.846 . . . . 55.23 108.716 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -85.1 131.71 34.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.817 0.447 . . . . 73.51 110.01 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.7 mt -126.06 167.83 14.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.546 1.138 . . . . 63.01 109.838 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -151.54 167.22 28.73 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.201 1.0 . . . . 70.25 108.87 171.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -72.39 115.58 11.81 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 121.116 0.484 . . . . 72.25 111.129 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.43 ' HA3' ' HB2' ' A' ' 44' ' ' GLU . . . -116.06 12.08 17.27 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 115.518 -0.765 . . . . 65.04 111.561 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.515 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . 59.2 tp . . . . . 0 CA--C 1.552 1.037 0 C-N-CA 125.334 1.453 . . . . 62.42 108.564 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.751 -0.463 . . . . 73.23 109.751 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -97.53 152.99 18.45 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.249 0.547 . . . . 63.42 111.844 -173.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.456 ' HB3' HG22 ' A' ' 26' ' ' THR . 0.6 OUTLIER -115.2 165.08 13.32 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.709 0.803 . . . . 73.22 112.04 -178.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.21 131.56 20.86 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.642 1.177 . . . . 75.55 109.794 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 p -101.88 146.83 27.29 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.15 0.58 . . . . 74.42 111.449 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.8 mp -116.33 118.13 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 108.699 -0.852 . . . . 53.3 108.699 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -110.09 108.53 18.75 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.102 0.961 . . . . 71.21 110.771 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.69 131.48 37.73 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.817 0.447 . . . . 62.32 110.196 171.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -131.08 157.93 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.852 0.861 . . . . 71.33 110.937 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -116.91 98.49 6.52 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.88 0.872 . . . . 70.22 109.421 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.15 -20.99 63.34 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.355 1.462 . . . . 71.33 113.195 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.35 -29.06 69.66 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.791 0.836 . . . . 53.02 110.943 173.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -119.37 30.72 6.96 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.094 0.958 . . . . 73.13 110.816 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.43 40.67 91.35 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.854 -0.612 . . . . 62.5 114.503 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.42 46.01 7.12 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 114.346 0.498 . . . . 74.44 114.346 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.57 125.36 29.09 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.302 0.641 . . . . 54.01 111.2 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.16 124.79 21.35 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.287 0.565 . . . . 75.11 112.183 -173.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.4 t -100.54 112.96 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 123.657 0.783 . . . . 51.31 110.052 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.72 -110.36 3.05 Favored Glycine 0 CA--C 1.54 1.644 0 N-CA-C 114.111 0.405 . . . . 40.02 114.111 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -143.54 157.93 44.05 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.368 0.667 . . . . 74.1 111.611 -171.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.3 mm -85.25 135.21 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.744 0.817 . . . . 71.14 110.63 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 35.3 t -104.31 105.03 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.142 0.577 . . . . 41.24 110.957 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 m -92.0 127.08 37.34 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 122.069 -0.394 . . . . 65.53 110.331 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.3 m -123.16 144.96 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.045 0.938 . . . . 72.5 109.987 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 4' ' ' ASP . 22.3 p -112.05 151.36 29.45 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 123.099 0.56 . . . . 71.12 112.297 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.88 -134.08 2.34 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 115.796 -0.638 . . . . 50.03 113.62 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -133.28 138.93 46.64 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 122.22 -0.577 . . . . 54.21 111.273 -166.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 m -43.37 -51.33 6.48 Favored 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 125.224 1.409 . . . . 74.54 113.673 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -76.32 -32.52 58.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.278 0.631 . . . . 74.12 112.487 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -83.86 146.28 28.17 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.759 0.651 . . . . 72.01 112.759 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 p -107.2 138.01 44.2 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.515 -0.766 . . . . 65.15 109.75 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 61' ' ' THR . 14.3 t -97.72 161.48 13.74 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 123.84 0.856 . . . . 73.11 111.108 175.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.606 HG22 HG22 ' A' ' 61' ' ' THR . 58.6 p -111.6 111.78 23.02 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 121.2 0.524 . . . . 35.45 110.07 174.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.83 126.35 53.72 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.662 0.785 . . . . 74.44 109.074 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -80.25 135.53 36.27 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.849 0.357 . . . . 74.53 110.892 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.6 t -75.26 126.52 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 C-N-CA 123.586 0.754 . . . . 74.03 110.133 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 m -105.24 105.47 15.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.868 0.867 . . . . 65.22 108.917 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.3 mm -86.71 113.7 54.32 Favored Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 123.391 0.676 . . . . 64.23 110.558 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -75.96 156.09 38.72 Favored 'Trans proline' 0 C--N 1.372 1.788 0 C-N-CA 122.355 2.036 . . . . 50.4 112.602 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.8 136.29 56.73 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.425 0.69 . . . . 63.2 111.297 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.84 -25.53 23.1 Favored Glycine 0 N--CA 1.478 1.473 0 CA-C-N 116.462 -0.335 . . . . 61.42 113.472 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -100.05 144.66 28.83 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.667 0.787 . . . . 70.25 110.051 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.3 133.07 52.76 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.74 0.816 . . . . 75.03 109.542 -173.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -67.64 116.79 8.75 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.29 1.036 . . . . 70.13 112.626 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.705 HG22 ' HD2' ' A' ' 77' ' ' LYS . 48.7 t -81.55 -55.38 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-O 121.628 0.728 . . . . 75.13 109.461 173.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.59 -170.55 42.31 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 114.782 -1.099 . . . . 72.43 112.436 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.5 m -126.3 134.02 51.24 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.64 0.776 . . . . 72.4 110.739 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -121.34 121.1 36.91 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.962 0.905 . . . . 62.53 109.242 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.39 148.99 23.8 Favored Glycine 0 N--CA 1.479 1.539 0 N-CA-C 112.223 -0.351 . . . . 64.12 112.223 -172.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.31 -155.72 46.24 Favored Glycine 0 CA--C 1.535 1.327 0 CA-C-N 117.066 0.433 . . . . 65.23 113.218 -174.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.5 t -125.63 108.79 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.752 -0.833 . . . . 74.41 108.752 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -75.11 144.49 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 O-C-N 122.136 -0.352 . . . . 54.13 110.415 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.5 t -58.28 155.27 11.86 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.857 0.863 . . . . 62.25 112.212 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.5 p -64.39 -24.73 67.74 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.19 0.596 . . . . 71.51 111.643 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.36 -19.43 42.75 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.778 0.831 . . . . 73.14 111.771 175.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.34 3.07 56.49 Favored Glycine 0 CA--C 1.542 1.732 0 CA-C-N 116.431 -0.349 . . . . 71.43 113.846 -172.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -79.2 -37.36 38.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.618 0.767 . . . . 74.04 111.894 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.5 p -121.42 162.77 19.85 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.48 0.712 . . . . 64.43 110.597 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.511 HG11 HG11 ' A' ' 72' ' ' VAL . 68.0 t -128.96 132.36 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.142 0.977 . . . . 54.35 108.944 171.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.606 HG22 HG22 ' A' ' 34' ' ' THR . 69.9 p -93.27 106.47 18.43 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 122.683 0.393 . . . . 70.33 110.069 172.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 mp -99.8 129.1 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.999 0.52 . . . . 72.54 109.998 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.4 m -99.79 138.9 36.23 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.687 -0.486 . . . . 75.02 109.687 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -82.03 137.35 35.1 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.49 0.716 . . . . 71.41 112.453 -168.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.47 147.62 41.59 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.66 0.784 . . . . 62.15 111.135 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.04 -23.23 60.56 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.429 0.692 . . . . 63.44 111.632 173.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -85.27 172.43 11.14 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.944 0.898 . . . . 75.54 111.338 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.88 26.05 0.53 Allowed 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 124.029 0.932 . . . . 72.24 111.958 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.0 m -93.21 -9.1 40.43 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.073 0.949 . . . . 63.21 111.232 168.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.16 -38.79 90.35 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.77 1.228 . . . . 64.33 112.56 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -75.9 130.04 37.89 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.898 -1.046 . . . . 73.52 113.661 -166.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.511 HG11 HG11 ' A' ' 60' ' ' VAL . 73.1 t -100.94 128.75 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 114.83 -1.077 . . . . 71.14 110.083 177.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.7 t -94.99 107.63 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.684 0.794 . . . . 73.42 109.614 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.0 mm -86.75 115.66 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.967 -0.753 . . . . 71.23 108.967 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -89.84 132.28 35.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.449 0.7 . . . . 61.13 111.755 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.6 mt -130.93 166.22 21.42 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.868 1.267 . . . . 42.5 109.621 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.705 ' HD2' HG22 ' A' ' 46' ' ' VAL . 13.6 ptmm? -157.63 150.78 23.38 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.898 0.479 . . . . 64.22 109.845 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -72.96 120.95 19.29 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 122.049 -0.407 . . . . 75.43 110.406 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -168.85 141.7 6.91 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 119.411 -0.66 . . . . 75.1 112.589 -174.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.6 tp . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 122.426 1.108 . . . . 61.23 108.991 -171.678 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 CA--C 1.554 1.133 0 CA-C-O 121.235 0.541 . . . . 74.11 110.816 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -91.89 163.68 13.94 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.938 0.895 . . . . 63.41 111.214 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -121.97 141.92 50.84 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.473 0.709 . . . . 74.25 111.255 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.45 138.05 51.21 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.384 1.074 . . . . 73.13 110.766 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -115.11 129.12 56.6 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.438 0.695 . . . . 65.4 111.685 -174.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.426 HD12 ' HB ' ' A' ' 72' ' ' VAL . 25.4 mm -94.0 113.04 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.568 -0.901 . . . . 74.51 108.568 172.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.5 m -110.41 102.08 10.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.22 1.008 . . . . 54.2 110.247 -171.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -77.28 120.24 22.04 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.494 -0.558 . . . . 73.03 109.494 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.479 ' HB ' ' HA2' ' A' ' 16' ' ' GLY . 27.4 m -119.45 144.28 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.191 0.597 . . . . 64.24 110.807 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.47 90.1 5.06 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.615 -0.883 . . . . 72.0 108.615 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.15 -31.24 67.03 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.978 1.311 . . . . 71.23 111.744 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 77' ' ' LYS . 13.8 t70 -64.56 -22.4 66.96 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.907 0.883 . . . . 72.42 111.319 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -113.86 23.08 13.36 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.228 1.011 . . . . 74.21 110.735 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.58 26.16 70.71 Favored Glycine 0 N--CA 1.482 1.761 0 N-CA-C 115.193 0.837 . . . . 72.44 115.193 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.479 ' HA2' ' HB ' ' A' ' 10' ' ' VAL . . . 94.74 101.38 1.75 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 122.799 0.238 . . . . 52.43 113.35 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.41 132.99 19.8 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.778 0.831 . . . . 74.04 109.896 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -63.22 117.27 6.33 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.57 0.7 . . . . 74.41 112.399 -173.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.3 t -124.27 144.84 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 125.108 1.363 . . . . 74.12 109.586 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.56 -113.37 4.8 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 114.466 0.547 . . . . 60.34 114.466 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -121.78 146.32 47.18 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 113.173 0.805 . . . . 73.15 113.173 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mt -96.76 111.61 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 108.149 -1.056 . . . . 73.31 108.149 162.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -100.39 102.26 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-O 120.782 0.325 . . . . 74.43 110.559 -174.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -96.63 112.27 24.08 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.087 0.555 . . . . 72.54 110.666 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.34 152.79 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.416 0.686 . . . . 41.42 110.13 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -123.61 147.2 47.57 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 122.812 0.445 . . . . 73.24 111.878 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.16 171.23 36.91 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 116.084 -0.507 . . . . 32.13 112.309 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -92.67 160.81 14.82 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 117.496 0.648 . . . . 63.13 109.743 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.6 t -55.0 -28.14 49.61 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 114.916 1.45 . . . . 74.25 114.916 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.43 -28.08 61.79 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.682 0.793 . . . . 52.21 111.551 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -90.28 132.18 35.68 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.725 0.81 . . . . 51.44 111.426 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.7 p -119.37 139.83 51.36 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.7 0.8 . . . . 73.41 109.582 172.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -126.52 162.32 25.91 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.27 1.028 . . . . 74.3 110.179 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -125.65 113.95 18.05 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.116 0.484 . . . . 74.41 110.995 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -92.13 136.02 33.52 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.25 1.02 . . . . 72.15 110.288 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.2 m -89.83 118.81 29.69 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.539 0.335 . . . . 70.0 110.141 174.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.5 t -75.3 126.21 35.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 123.95 0.9 . . . . 40.11 110.954 -175.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.2 m -113.04 102.79 10.74 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.549 1.14 . . . . 73.34 109.848 -173.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.66 HD12 HD21 ' A' ' 76' ' ' LEU . 23.4 mm -88.96 118.52 69.32 Favored Pre-proline 0 N--CA 1.484 1.254 0 C-N-CA 122.928 0.491 . . . . 72.33 110.578 -178.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -62.46 135.93 56.21 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.603 2.202 . . . . 70.44 112.29 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -64.96 136.47 56.85 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 122.945 0.498 . . . . 70.12 111.039 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.16 -20.66 39.88 Favored Glycine 0 N--CA 1.478 1.444 0 CA-C-N 116.135 -0.484 . . . . 75.22 112.385 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -107.04 146.47 31.12 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.253 1.021 . . . . 74.41 109.547 175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -111.0 137.48 48.58 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.041 0.448 . . . . 73.4 110.492 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -66.71 107.99 2.33 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.039 0.936 . . . . 75.12 111.195 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.6 t -81.21 -42.66 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-O 121.363 0.601 . . . . 72.52 109.429 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.05 -177.06 38.4 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.163 -0.926 . . . . 64.42 113.344 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.1 m -111.8 141.85 44.91 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.322 1.049 . . . . 54.34 110.437 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -125.96 119.24 27.2 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.854 0.861 . . . . 64.52 109.259 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.53 154.56 31.13 Favored Glycine 0 N--CA 1.482 1.732 0 CA-C-N 117.758 0.254 . . . . 21.15 113.08 -175.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.65 -152.36 49.1 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 117.027 0.413 . . . . 63.21 113.406 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.454 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 91.0 t -128.93 105.74 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 123.3 0.64 . . . . 74.11 109.824 175.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.0 137.35 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 CA-C-O 121.242 0.544 . . . . 54.35 111.264 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.3 t -78.64 169.74 17.77 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.681 0.792 . . . . 73.21 111.583 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.0 p -57.14 -45.46 83.51 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.233 1.013 . . . . 64.42 113.671 -171.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -89.28 -3.23 58.6 Favored 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 123.051 0.54 . . . . 65.14 111.357 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.82 8.72 78.12 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 115.317 0.887 . . . . 71.13 115.317 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -76.97 -27.19 54.67 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.497 0.719 . . . . 61.34 112.813 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.6 p -135.89 141.86 44.62 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.493 0.717 . . . . 71.13 111.721 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 80.7 t -126.78 126.91 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.024 0.93 . . . . 74.32 110.066 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.454 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 68.6 m -75.12 125.67 29.43 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.429 0.691 . . . . 72.43 111.026 174.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.6 mt -101.07 114.93 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 125.049 1.34 . . . . 74.43 108.904 172.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 m -121.57 117.57 27.08 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.232 -0.655 . . . . 73.55 109.232 174.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -69.68 144.01 52.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.688 0.795 . . . . 74.43 111.237 -171.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.62 156.27 36.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.855 0.462 . . . . 62.3 111.904 -177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.13 -20.91 63.22 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.481 0.712 . . . . 50.21 111.855 169.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -97.64 130.37 44.66 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.124 0.969 . . . . 73.44 108.871 167.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -72.78 72.27 1.06 Allowed 'General case' 0 CA--C 1.568 1.654 0 CA-C-O 122.321 1.058 . . . . 74.21 112.54 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.8 m -111.56 5.04 19.17 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.322 1.049 . . . . 72.41 110.635 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.19 -17.66 15.87 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.24 1.416 . . . . 75.32 111.611 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -78.44 108.13 11.58 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.44 0.696 . . . . 74.25 109.296 175.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.426 ' HB ' HD12 ' A' ' 7' ' ' ILE . 66.0 t -101.67 119.04 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.32 0.648 . . . . 72.42 111.291 -171.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.1 t -99.73 111.39 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 C-N-CA 123.935 0.894 . . . . 72.34 110.339 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.1 mm -89.42 116.79 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.258 0.623 . . . . 70.12 109.972 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -89.55 125.25 35.14 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.231 0.613 . . . . 73.22 110.593 -178.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.66 HD21 HD12 ' A' ' 39' ' ' ILE . 88.3 mt -126.72 135.91 51.75 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.263 0.625 . . . . 72.41 111.72 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 13' ' ' ASP . 22.1 ptmt -100.62 171.51 7.66 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.285 0.634 . . . . 74.32 110.157 174.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -88.39 145.77 25.61 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.63 -0.508 . . . . 73.02 109.63 170.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.47 174.75 55.04 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 113.975 0.35 . . . . 74.02 113.975 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 N--CA 1.493 1.682 0 C-N-CA 123.761 0.824 . . . . 60.1 110.78 172.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.509 -0.552 . . . . 73.04 109.509 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.562 ' HG3' HG23 ' A' ' 29' ' ' THR . 24.9 mm-40 -85.08 163.88 18.54 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.177 0.991 . . . . 73.4 110.749 -174.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -150.38 166.35 30.34 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 121.176 0.512 . . . . 52.12 112.113 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.07 144.64 31.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.261 1.024 . . . . 54.13 110.271 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.1 p -109.48 142.52 40.38 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.194 0.597 . . . . 74.43 111.442 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.521 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 48.4 mt -123.13 121.28 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 123.988 0.915 . . . . 73.03 110.779 -174.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -122.93 115.9 22.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.29 0.636 . . . . 62.34 110.969 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.09 140.74 34.9 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.994 0.518 . . . . 71.1 109.73 169.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.31 153.05 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.991 0.916 . . . . 71.13 110.106 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -112.33 102.34 10.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.738 0.815 . . . . 72.24 109.783 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . 21.6 t70 -56.55 -30.15 62.77 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.498 1.519 . . . . 75.33 112.185 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.8 -30.5 71.51 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.803 0.841 . . . . 72.25 111.646 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -110.07 45.15 1.13 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.147 0.979 . . . . 71.22 110.297 175.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.48 23.72 68.78 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.376 0.91 . . . . 72.44 115.376 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.75 39.17 6.69 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 116.955 0.378 . . . . 32.34 112.859 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.97 117.67 12.76 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.506 0.722 . . . . 65.42 111.887 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.13 127.71 33.21 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 123.384 0.674 . . . . 74.03 111.956 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -104.2 106.05 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.918 0.887 . . . . 74.23 108.918 -177.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.83 -160.12 48.35 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 116.864 -0.153 . . . . 73.24 112.917 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -106.51 177.03 4.98 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.314 0.646 . . . . 72.12 111.889 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.3 mt -81.05 125.3 39.45 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.329 0 CA-C-N 115.57 -0.741 . . . . 70.12 110.657 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 51.7 t -101.36 116.65 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.991 0.916 . . . . 75.43 110.173 -175.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 m -99.84 115.1 28.8 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.93 0.492 . . . . 71.22 110.877 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.496 HG23 ' HE1' ' A' ' 64' ' ' PHE . 20.9 m -104.51 141.1 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.243 0.617 . . . . 65.02 110.504 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -109.76 164.83 12.19 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 112.964 0.727 . . . . 75.15 112.964 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.92 -132.75 2.7 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.079 -0.509 . . . . 62.2 113.656 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' H ' ' A' ' 30' ' ' ASP . 5.4 tppp? -144.22 150.57 38.18 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.857 0.863 . . . . 71.42 109.901 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.562 HG23 ' HG3' ' A' ' 3' ' ' GLU . 21.2 p -47.28 -28.37 1.93 Allowed 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 114.373 1.249 . . . . 61.43 114.373 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.572 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 36.7 t70 -77.37 -38.9 49.14 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 123.536 0.734 . . . . 72.14 112.724 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.78 164.67 12.13 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 122.015 0.912 . . . . 75.53 112.784 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.4 p -131.57 162.13 31.03 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 114.421 -1.263 . . . . 74.11 111.058 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 t -137.62 161.06 37.47 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.056 0.942 . . . . 74.54 110.868 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.3 p -116.58 110.52 18.65 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.131 0.572 . . . . 72.54 109.958 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -83.21 141.17 32.1 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.066 0.947 . . . . 61.3 111.244 -177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -85.92 111.17 19.98 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.319 0.648 . . . . 70.33 110.198 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.2 t -82.76 110.43 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.399 0.68 . . . . 71.34 109.933 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.9 p -101.77 110.02 21.91 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.491 0.717 . . . . 74.35 110.249 -173.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.1 mm -91.37 114.83 63.01 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 123.954 0.901 . . . . 72.33 109.943 -175.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.41 167.71 23.18 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.701 2.267 . . . . 65.21 114.007 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -60.66 134.26 56.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.1 0.96 . . . . 53.02 112.354 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.35 -3.53 84.45 Favored Glycine 0 CA--C 1.54 1.639 0 CA-C-O 119.668 -0.518 . . . . 54.21 114.197 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -107.16 153.98 21.87 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.601 0.76 . . . . 74.01 111.374 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -128.72 137.28 51.51 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.956 1.302 . . . . 74.32 109.741 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.418 ' OH ' HG21 ' A' ' 53' ' ' VAL . 82.1 t80 -72.96 137.15 45.32 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.857 0.463 . . . . 72.43 111.971 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.05 -62.53 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 123.658 0.783 . . . . 64.05 111.318 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.86 -175.67 46.08 Favored Glycine 0 N--CA 1.482 1.714 0 N-CA-C 114.579 0.592 . . . . 43.31 114.579 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.5 m -132.85 141.4 48.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.103 0.961 . . . . 75.4 111.396 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.17 149.24 36.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.892 0.877 . . . . 54.31 109.77 170.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.0 -65.09 4.17 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 122.866 0.269 . . . . 42.12 113.388 -178.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.26 172.25 53.8 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 113.934 0.334 . . . . 44.33 113.934 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.83 112.11 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 123.858 0.863 . . . . 51.13 110.062 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.418 HG21 ' OH ' ' A' ' 45' ' ' TYR . 10.2 p -108.58 155.17 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.195 0.521 . . . . 54.02 112.149 -173.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p -84.02 157.07 21.96 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.629 0.772 . . . . 72.51 110.51 171.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.7 t -67.07 -23.42 65.86 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.51 0.724 . . . . 60.21 112.174 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.07 -20.72 64.98 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.845 0.683 . . . . 75.11 112.845 173.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.94 17.45 69.6 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 115.589 0.995 . . . . 23.22 115.589 174.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -102.37 -36.68 8.36 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.566 0.746 . . . . 74.33 111.296 177.223 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.7 p -114.07 126.38 55.04 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.234 0.614 . . . . 74.45 111.058 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.415 HG11 HG11 ' A' ' 72' ' ' VAL . 5.7 p -119.01 115.39 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.521 0.728 . . . . 74.34 109.675 169.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.8 m -71.68 116.85 12.53 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.333 0.653 . . . . 73.15 111.164 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.5 mt -105.62 121.85 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.687 1.195 . . . . 72.41 109.304 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 m -117.99 106.46 12.94 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.293 -0.632 . . . . 75.43 109.293 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.496 ' HE1' HG23 ' A' ' 25' ' ' VAL . 49.1 m-85 -54.95 135.9 47.99 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.336 1.054 . . . . 74.31 112.672 -169.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.28 136.14 23.38 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.654 0.382 . . . . 62.14 111.63 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.48 -10.31 57.5 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.469 0.708 . . . . 73.43 112.498 174.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -72.28 -29.26 63.71 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.857 0.863 . . . . 75.44 111.463 173.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 65.21 76.36 0.34 Allowed 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.482 1.113 . . . . 43.14 111.199 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.6 t -152.18 7.79 0.46 Allowed 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 123.892 0.877 . . . . 51.11 111.189 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -107.32 1.1 23.54 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.023 1.329 . . . . 52.14 111.072 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -66.55 137.42 56.76 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.968 1.307 . . . . 72.44 111.021 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.415 HG11 HG11 ' A' ' 60' ' ' VAL . 72.1 t -96.87 123.18 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 123.512 0.725 . . . . 72.25 111.775 -171.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.2 104.7 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.344 -0.613 . . . . 73.11 109.344 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.0 mm -85.47 135.97 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.469 0.707 . . . . 73.55 109.872 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -114.8 133.54 55.85 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.515 0.726 . . . . 75.13 110.397 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.3 mt -131.9 155.97 46.94 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.304 1.042 . . . . 72.24 110.834 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' A' ' 12' ' ' ASP . 45.2 mtpt -134.95 169.97 16.59 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.062 0.545 . . . . 74.04 110.148 171.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -96.78 135.46 38.7 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 122.205 -0.309 . . . . 72.13 111.114 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.34 -53.35 6.12 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 111.139 -0.785 . . . . 53.52 111.139 174.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.605 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.5 pt? . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 123.984 0.913 . . . . 70.41 109.999 168.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 121.342 0.592 . . . . 75.42 111.298 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.559 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -101.27 162.41 12.91 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.28 0.632 . . . . 64.13 111.372 -179.068 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -120.86 167.68 12.27 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.374 0.67 . . . . 71.25 112.228 -174.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.28 135.04 38.64 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.044 0.938 . . . . 71.34 110.045 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -102.28 126.01 49.15 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.61 0.764 . . . . 70.01 110.465 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.614 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mp -106.34 108.82 26.04 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.777 0.831 . . . . 53.32 109.069 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.9 m -121.04 118.13 29.0 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.569 0.748 . . . . 45.52 110.387 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.449 ' HD2' HD11 ' A' ' 76' ' ' LEU . 11.7 m-85 -74.21 144.69 44.62 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.478 0.711 . . . . 62.13 109.25 171.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.8 m -142.32 135.46 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 C-N-CA 123.165 0.586 . . . . 73.13 111.734 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.37 116.1 16.74 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.992 0.517 . . . . 70.44 109.994 165.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.18 -25.22 68.24 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 123.414 0.685 . . . . 62.41 110.508 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.03 -20.2 63.27 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.83 1.252 . . . . 64.52 112.209 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -107.14 16.68 23.86 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.414 0.686 . . . . 73.24 110.584 -178.024 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.91 34.97 71.8 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 116.377 -0.374 . . . . 74.4 113.563 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.02 30.38 38.46 Favored Glycine 0 CA--C 1.54 1.625 0 N-CA-C 114.279 0.472 . . . . 54.21 114.279 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 14' ' ' LYS . . . -98.46 155.28 17.33 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.489 0.716 . . . . 62.0 111.52 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.04 138.74 57.4 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 115.554 1.687 . . . . 63.41 115.554 -164.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.39 129.96 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.724 1.21 . . . . 71.32 109.784 167.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.91 -106.05 2.0 Allowed Glycine 0 CA--C 1.535 1.338 0 N-CA-C 114.205 0.442 . . . . 61.44 114.205 170.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -154.45 153.75 32.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.083 0.553 . . . . 74.32 111.333 -173.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt -80.96 137.11 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.641 0.776 . . . . 73.51 110.751 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.614 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 39.6 t -105.9 147.55 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 124.287 1.035 . . . . 72.05 109.026 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -133.7 120.93 21.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.679 -0.638 . . . . 73.22 110.307 175.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.0 m -110.81 142.35 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.208 0.603 . . . . 72.51 110.372 174.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.7 p -121.97 137.78 54.67 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 123.461 0.704 . . . . 72.12 110.997 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.72 -142.63 3.53 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 116.25 -0.432 . . . . 63.42 112.305 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -129.23 144.44 51.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.049 0.54 . . . . 75.44 110.805 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -53.68 -33.34 55.06 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.418 1.266 . . . . 60.42 114.418 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.22 -31.61 71.23 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 123.428 0.691 . . . . 74.33 111.976 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -98.55 162.89 12.9 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.43 0.692 . . . . 63.42 111.688 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.0 p -132.67 155.44 48.77 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.779 0.799 . . . . 52.53 111.215 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 t -132.0 162.11 31.52 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.883 1.273 . . . . 71.32 109.947 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 m -123.96 127.49 48.03 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 120.946 0.403 . . . . 72.33 111.209 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -113.64 130.93 56.31 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.346 1.058 . . . . 74.22 109.866 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -89.9 141.2 28.87 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.075 0.464 . . . . 75.44 111.39 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.485 HG22 HD13 ' A' ' 74' ' ' ILE . 61.1 t -77.3 132.68 32.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.195 0.998 . . . . 73.12 109.767 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.9 p -103.13 106.76 17.34 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.836 0.854 . . . . 74.35 109.187 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.8 mm -93.74 109.53 41.85 Favored Pre-proline 0 N--CA 1.482 1.134 0 C-N-CA 123.507 0.723 . . . . 74.32 110.333 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.16 145.58 24.56 Favored 'Trans proline' 0 C--N 1.373 1.82 0 C-N-CA 122.172 1.915 . . . . 64.12 112.589 174.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.88 115.51 3.75 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.672 0.789 . . . . 71.51 110.849 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.92 -21.89 9.37 Favored Glycine 0 N--CA 1.479 1.534 0 C-N-CA 123.251 0.453 . . . . 74.45 112.135 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -108.98 157.91 18.21 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.444 1.098 . . . . 72.01 109.497 172.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.56 143.49 37.37 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 109.267 -0.642 . . . . 73.23 109.267 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -71.09 131.38 43.52 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.762 0.825 . . . . 72.44 112.952 -173.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.0 t -101.77 -60.84 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.617 0.767 . . . . 73.24 110.382 171.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.06 -164.82 29.73 Favored Glycine 0 N--CA 1.475 1.249 0 CA-C-N 116.513 -0.312 . . . . 64.22 113.332 -173.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -147.99 141.08 24.97 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.053 0.941 . . . . 73.34 110.595 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.405 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 31.7 t70 -121.52 151.33 40.42 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.792 1.237 . . . . 54.21 110.328 -176.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.44 -68.7 3.48 Favored Glycine 0 N--CA 1.477 1.376 0 N-CA-C 113.886 0.315 . . . . 70.43 113.886 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.561 ' HA3' HG22 ' A' ' 72' ' ' VAL . . . -76.72 153.55 42.44 Favored Glycine 0 CA--C 1.536 1.403 0 CA-C-O 119.928 -0.373 . . . . 34.44 112.222 175.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.95 107.24 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 117.231 0.516 . . . . 73.34 110.224 -173.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.401 HG23 HG22 ' A' ' 60' ' ' VAL . 11.5 p -91.62 147.1 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 C-N-CA 123.426 0.69 . . . . 73.31 111.684 -174.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.8 p -73.2 172.65 10.72 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.718 0.807 . . . . 73.31 112.388 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.0 t -65.62 -33.64 76.38 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.74 0.816 . . . . 54.34 112.035 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.18 -18.04 35.32 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.493 0.717 . . . . 72.01 111.839 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.69 -20.96 28.75 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 115.145 0.818 . . . . 72.43 115.145 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -67.16 -42.86 83.6 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 117.505 0.652 . . . . 72.42 112.117 -174.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.1 p -106.19 121.75 44.82 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.004 0.522 . . . . 73.44 111.318 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.401 HG22 HG23 ' A' ' 53' ' ' VAL . 46.5 t -112.55 114.04 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.123 0.969 . . . . 74.33 109.762 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.1 m -82.99 112.12 19.47 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.438 0.637 . . . . 51.23 110.485 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 mt -93.12 123.51 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 C-N-CA 124.469 1.108 . . . . 73.31 109.986 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.1 m -122.62 111.06 16.31 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 109.597 -0.52 . . . . 75.24 109.597 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 53.9 m-85 -58.43 156.76 9.81 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.845 1.258 . . . . 74.14 112.349 -174.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.66 152.51 30.91 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 112.281 0.474 . . . . 73.13 112.281 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.65 -24.79 67.93 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.857 0.863 . . . . 72.24 111.369 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -107.53 107.75 18.74 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.119 0.967 . . . . 73.22 108.693 168.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.548 ' HB2' HD21 ' A' ' 71' ' ' ASN . 5.2 p-10 -70.5 91.98 0.81 Allowed 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 122.114 0.959 . . . . 55.14 113.505 -168.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 t -125.96 12.59 7.82 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.526 1.131 . . . . 65.31 109.536 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -105.98 -4.66 20.3 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.2 1.4 . . . . 75.13 112.419 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.548 HD21 ' HB2' ' A' ' 68' ' ' ASP . 36.4 m-80 -66.27 132.82 49.27 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.379 0.671 . . . . 75.35 110.525 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.561 HG22 ' HA3' ' A' ' 51' ' ' GLY . 64.0 t -99.57 119.32 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.316 0.647 . . . . 73.22 110.887 -171.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 87.9 t -111.37 99.94 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.717 0.807 . . . . 62.02 108.969 175.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 37' ' ' VAL . 68.6 mt -85.53 115.34 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.846 0.458 . . . . 53.32 110.149 -175.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -85.43 131.23 34.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.653 0.781 . . . . 74.33 111.351 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.449 HD11 ' HD2' ' A' ' 9' ' ' TYR . 86.5 mt -133.89 148.62 51.27 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.68 1.192 . . . . 74.44 110.732 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -112.95 172.41 6.95 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.591 0.757 . . . . 72.14 109.487 167.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -85.59 129.62 34.78 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.915 -0.772 . . . . 75.53 108.915 165.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.28 -115.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.698 -0.501 . . . . 61.41 112.471 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 N--CA 1.489 1.481 0 C-N-CA 124.145 0.978 . . . . 54.14 111.847 -179.01 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 109.304 -0.628 . . . . 71.34 109.304 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -87.35 140.02 29.97 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.199 -0.455 . . . . 75.43 111.54 -160.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -116.7 131.66 56.89 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.12 0.568 . . . . 62.42 111.081 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.77 130.37 56.82 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.981 0.912 . . . . 64.3 109.345 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.4 t -111.85 139.59 47.21 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.291 0.567 . . . . 72.02 111.725 -173.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.66 109.76 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 123.933 0.893 . . . . 61.24 109.233 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -101.67 112.33 24.88 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.257 1.023 . . . . 73.4 110.644 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -82.86 120.54 25.78 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.637 0.375 . . . . 71.33 110.158 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.8 m -123.06 150.95 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-O 121.859 0.837 . . . . 75.51 111.358 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -93.41 97.84 10.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.793 1.237 . . . . 71.4 108.054 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.41 -27.91 68.88 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.33 1.052 . . . . 70.32 112.624 -173.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -86.8 -8.71 57.09 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.417 0.687 . . . . 70.15 112.774 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -114.49 39.68 2.74 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.56 0.695 . . . . 74.24 109.949 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.08 23.81 68.16 Favored Glycine 0 N--CA 1.483 1.777 0 N-CA-C 114.951 0.74 . . . . 74.14 114.951 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.02 41.73 26.59 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-O 120.155 -0.247 . . . . 71.51 113.458 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.44 133.84 39.73 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.298 0.639 . . . . 72.4 112.009 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -60.5 124.24 19.77 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.043 0.449 . . . . 70.2 112.033 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.69 106.4 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 124.451 1.1 . . . . 72.34 109.626 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.46 -109.49 2.86 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 116.694 -0.23 . . . . 44.14 113.438 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -137.69 165.33 26.65 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.788 0.835 . . . . 73.35 111.485 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.6 mt -95.39 140.96 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.945 0.898 . . . . 44.2 111.355 -174.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -103.18 101.77 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.302 0.641 . . . . 72.14 110.621 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.4 m -99.64 134.43 42.54 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 122.897 0.479 . . . . 65.41 110.59 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.3 m -123.54 151.24 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 123.739 0.816 . . . . 63.12 110.794 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.2 p -112.36 155.99 23.22 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.454 0.702 . . . . 51.41 111.709 -177.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.96 -126.67 1.1 Allowed Glycine 0 C--N 1.343 0.962 0 CA-C-N 115.625 -0.716 . . . . 74.01 111.754 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -159.16 150.86 20.56 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 117.382 0.591 . . . . 71.44 109.663 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.482 HG22 ' HA ' ' A' ' 65' ' ' ALA . 49.6 p -51.16 -39.68 56.9 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 114.232 1.197 . . . . 74.32 114.232 -176.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.62 -29.51 64.75 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.515 0.726 . . . . 71.21 111.548 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.89 157.22 19.57 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.016 0.926 . . . . 75.11 112.106 -176.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.6 p -145.7 159.02 43.77 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 115.385 -0.825 . . . . 74.24 111.081 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -150.26 162.0 41.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.878 0.871 . . . . 61.01 111.183 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.2 p -104.04 125.83 50.69 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.448 0.699 . . . . 74.04 110.053 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -113.22 128.29 56.43 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.064 0.946 . . . . 62.01 109.925 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 m -84.24 131.17 34.77 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 110.307 -0.257 . . . . 72.32 110.307 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.24 134.76 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.849 0.86 . . . . 72.25 110.893 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m -110.29 115.99 30.67 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.907 0.883 . . . . 71.44 110.279 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.7 mm -99.95 114.96 65.91 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 123.315 0.646 . . . . 72.21 110.045 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.32 159.72 50.97 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.254 1.969 . . . . 73.33 113.186 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.84 138.77 58.58 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.316 0.646 . . . . 74.13 111.316 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.85 -0.04 89.87 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 115.881 -0.6 . . . . 63.41 113.51 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -113.49 160.61 18.29 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.818 0.847 . . . . 73.54 111.457 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HB2' ' HB2' ' A' ' 77' ' ' LYS . 37.8 mt-10 -127.57 157.09 41.11 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.839 1.256 . . . . 74.13 109.266 176.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -82.63 130.2 35.08 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 118.097 0.408 . . . . 72.11 111.274 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.538 HG22 ' HG3' ' A' ' 77' ' ' LYS . 69.9 t -99.21 -65.16 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 123.409 0.683 . . . . 73.44 110.592 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.78 168.22 40.06 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 115.837 -0.62 . . . . 61.25 113.554 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.503 HG23 HG13 ' A' ' 72' ' ' VAL . 22.2 m -107.88 132.87 53.0 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.85 0.86 . . . . 60.1 110.895 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 38.8 t70 -115.3 150.16 36.7 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.96 0.904 . . . . 70.42 110.359 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.77 -72.2 2.87 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 122.606 0.146 . . . . 72.35 113.277 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.689 ' HA3' HG22 ' A' ' 72' ' ' VAL . . . -84.22 -173.11 49.61 Favored Glycine 0 N--CA 1.475 1.268 0 N-CA-C 114.332 0.493 . . . . 34.1 114.332 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.493 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 30.8 t -94.57 138.08 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.462 0.705 . . . . 71.51 110.353 -177.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -113.41 147.79 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.25 0.62 . . . . 72.24 111.741 -177.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 t -66.51 165.3 14.77 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.881 0.872 . . . . 71.2 112.042 171.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.8 t -61.57 -32.43 72.52 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.886 0.874 . . . . 53.44 111.847 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.45 -19.16 33.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.604 0.762 . . . . 74.24 112.455 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.35 14.4 71.68 Favored Glycine 0 N--CA 1.486 1.986 0 CA-C-O 121.364 0.425 . . . . 41.13 113.173 -165.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -84.84 -43.13 14.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.155 1.382 . . . . 71.25 111.157 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.0 p -123.43 164.72 18.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.197 0.999 . . . . 74.54 110.149 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.0 m -133.56 133.55 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.448 1.099 . . . . 75.45 109.972 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.493 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 50.5 m -78.5 104.41 9.08 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.228 0.611 . . . . 62.31 110.309 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.0 mm -85.84 105.0 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.303 0.641 . . . . 61.23 109.578 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.8 m -117.23 120.59 38.72 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.091 -1.078 . . . . 75.22 108.091 173.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -70.06 148.15 49.15 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.41 0.684 . . . . 73.13 111.264 -171.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.482 ' HA ' HG22 ' A' ' 29' ' ' THR . . . -153.39 155.28 36.09 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.53 0.732 . . . . 64.32 110.446 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.99 32.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 122.81 0.444 . . . . 72.25 111.251 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -132.36 -161.03 1.1 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.421 1.088 . . . . 65.32 110.834 -168.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -105.44 -1.07 25.41 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.116 0.966 . . . . 73.14 111.048 171.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.2 t -77.37 -19.93 55.51 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.316 1.046 . . . . 71.04 112.389 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.86 -21.88 31.85 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.104 0.962 . . . . 74.52 110.925 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -68.52 124.27 23.13 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.822 0.849 . . . . 64.41 109.711 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.689 HG22 ' HA3' ' A' ' 51' ' ' GLY . 96.6 t -111.03 118.82 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.004 0.922 . . . . 64.21 110.17 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 47.8 t -108.09 110.14 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.457 0.703 . . . . 72.0 109.863 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 43.7 mm -89.33 115.22 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.531 0.733 . . . . 44.31 109.962 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -91.66 134.87 34.32 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.265 0.626 . . . . 72.14 109.981 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.5 mt -128.17 138.51 52.52 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.712 0.634 . . . . 51.34 112.712 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.538 ' HG3' HG22 ' A' ' 46' ' ' VAL . 6.7 mtpm? -93.14 172.24 8.43 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.617 0.767 . . . . 73.22 111.006 173.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -100.08 142.78 31.09 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.289 -0.869 . . . . 75.24 110.775 166.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.19 -162.68 29.57 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 111.109 -0.796 . . . . 72.52 111.109 167.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 N--CA 1.484 1.227 0 CA-C-N 117.246 0.523 . . . . 74.31 110.48 173.169 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 108.561 -0.903 . . . . 74.51 108.561 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -84.17 139.88 32.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.365 0.266 . . . . 72.11 111.39 -164.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -116.09 168.2 10.31 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.639 0.607 . . . . 71.41 112.639 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.556 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -148.05 132.36 17.5 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.129 -0.941 . . . . 62.34 110.872 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 71' ' ' ASN . 75.4 p -97.76 135.75 39.09 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.739 0.816 . . . . 73.34 110.692 -175.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' A' ' 23' ' ' VAL . 13.0 mt -123.51 118.84 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.115 0.566 . . . . 70.41 109.805 -178.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.4 m -117.39 120.03 36.92 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.32 0.648 . . . . 71.42 111.586 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -84.66 134.26 34.37 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.345 0.658 . . . . 53.44 110.025 171.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.35 136.03 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.872 0.869 . . . . 75.34 110.942 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -77.37 100.47 5.96 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.974 0.51 . . . . 72.34 110.165 168.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -66.43 -20.19 65.99 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 121.129 0.49 . . . . 55.22 110.374 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -65.2 -28.18 69.2 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 124.828 1.251 . . . . 73.11 111.578 172.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.53 50.38 1.19 Allowed 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 123.456 0.702 . . . . 50.11 110.367 178.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.55 26.65 46.17 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 116.19 1.236 . . . . 40.04 116.19 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.21 39.23 7.44 Favored Glycine 0 N--CA 1.477 1.382 0 C-N-CA 123.091 0.377 . . . . 64.01 113.317 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.01 114.11 9.76 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.532 0.733 . . . . 41.05 111.485 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.482 HE21 ' HA ' ' A' ' 21' ' ' ASP . 52.6 tt0 -60.12 123.08 16.04 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.104 0.561 . . . . 54.11 111.767 -176.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 76' ' ' LEU . 14.4 t -92.29 104.64 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.451 0.7 . . . . 75.22 109.514 -176.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.89 -94.63 0.79 Allowed Glycine 0 CA--C 1.538 1.506 0 CA-C-N 116.309 -0.405 . . . . 75.33 113.329 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.482 ' HA ' HE21 ' A' ' 18' ' ' GLN . 3.8 p-10 -155.68 -178.54 7.36 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.522 0.677 . . . . 73.54 112.797 -170.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.9 mt -105.18 134.16 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 C-N-CA 124.252 1.021 . . . . 74.12 109.937 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG23 ' HB ' ' A' ' 7' ' ' ILE . 6.8 m -109.96 116.63 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.427 0.691 . . . . 75.44 110.932 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -103.78 108.85 20.34 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.168 0.587 . . . . 70.11 110.695 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 m -97.56 143.26 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 123.039 0.536 . . . . 74.51 110.952 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -113.18 150.97 31.52 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.564 0.697 . . . . 64.11 112.83 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.35 -110.42 0.27 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 115.412 -0.813 . . . . 53.24 111.575 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -161.42 154.68 21.24 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 117.668 0.734 . . . . 75.32 111.455 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.0 p -52.44 -38.45 59.26 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.468 0.914 . . . . 52.24 113.468 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -86.88 16.22 5.1 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 123.981 0.912 . . . . 60.11 111.624 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -134.84 148.97 50.28 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.285 1.034 . . . . 73.24 110.334 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.0 p -133.33 141.38 47.92 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.537 0.735 . . . . 45.23 111.073 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 t -114.3 161.11 18.3 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.755 0.822 . . . . 65.02 111.242 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.5 p -110.53 105.76 14.82 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.548 0.739 . . . . 72.14 109.697 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -97.23 129.64 44.54 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.203 1.001 . . . . 63.53 110.031 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.7 m -84.59 136.7 33.67 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.258 0.481 . . . . 73.32 111.026 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.2 t -75.74 130.97 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.056 0 C-N-CA 123.652 0.781 . . . . 74.1 110.266 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.9 p -103.39 120.85 41.59 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.04 0.936 . . . . 65.34 111.085 -177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 45' ' ' TYR . 49.5 mm -95.38 111.42 55.17 Favored Pre-proline 0 CA--C 1.56 1.36 0 C-N-CA 124.009 0.924 . . . . 64.05 111.074 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.613 ' HD2' ' HB2' ' A' ' 43' ' ' TYR . 4.6 Cg_exo -79.29 172.01 15.27 Favored 'Trans proline' 0 CA--C 1.566 2.102 0 C-N-CA 123.359 2.706 . . . . 64.31 113.326 175.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.38 105.97 2.77 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.843 0.857 . . . . 73.12 112.778 -174.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.82 11.92 51.78 Favored Glycine 0 N--CA 1.483 1.778 0 CA-C-N 116.211 -0.45 . . . . 45.34 114.053 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.613 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 45.0 m-85 -120.74 152.14 38.66 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 124.245 1.018 . . . . 62.33 109.906 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -137.44 140.18 41.1 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 123.417 0.687 . . . . 61.02 111.403 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.525 ' HB2' HD11 ' A' ' 39' ' ' ILE . 78.0 t80 -66.66 123.43 20.07 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.214 0.606 . . . . 75.22 112.181 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.4 t -99.01 -58.11 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.531 0.733 . . . . 75.11 111.229 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -170.2 -176.53 39.82 Favored Glycine 0 N--CA 1.476 1.359 0 CA-C-N 116.704 -0.225 . . . . 72.31 113.435 -173.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.1 m -146.65 137.24 23.89 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.898 0.879 . . . . 70.44 111.032 -177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -121.97 152.6 39.54 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.838 1.255 . . . . 72.04 110.139 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.14 -70.71 1.05 Allowed Glycine 0 N--CA 1.476 1.316 0 C-N-CA 122.533 0.111 . . . . 43.52 113.305 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.89 -171.05 47.38 Favored Glycine 0 N--CA 1.478 1.474 0 N-CA-C 113.907 0.323 . . . . 71.44 113.907 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -101.58 117.02 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 123.35 0.66 . . . . 62.42 110.081 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.1 p -87.22 140.07 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-O 120.907 0.384 . . . . 72.34 111.235 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -72.93 167.82 20.23 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.565 0.746 . . . . 72.12 111.986 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.0 p -62.51 -29.72 70.75 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.416 1.087 . . . . 72.34 113.14 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -88.46 -18.35 28.43 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.56 0.578 . . . . 70.45 112.56 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.25 -2.2 57.66 Favored Glycine 0 CA--C 1.545 1.924 0 N-CA-C 114.335 0.494 . . . . 70.55 114.335 -172.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -71.87 -35.65 69.86 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.143 0.977 . . . . 74.12 111.899 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.7 p -123.71 147.87 47.08 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.211 1.004 . . . . 51.22 110.657 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.3 m -125.28 117.49 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 C-N-CA 125.152 1.381 . . . . 71.32 109.561 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.1 m -71.0 113.16 7.75 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.441 0.696 . . . . 62.14 110.414 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 mm -98.79 116.86 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.686 0.795 . . . . 50.44 109.777 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.1 m -103.12 127.73 50.29 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 108.732 -0.84 . . . . 52.44 108.732 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.69 138.03 46.36 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.643 0.777 . . . . 72.31 110.929 -172.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.72 137.62 31.8 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 111.937 0.347 . . . . 72.12 111.937 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.19 -22.96 61.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.228 0.611 . . . . 64.12 110.944 169.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -84.5 173.5 10.79 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.14 0.976 . . . . 74.1 110.649 176.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.14 29.18 0.22 Allowed 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 123.726 0.81 . . . . 62.35 113.095 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.2 t -95.4 -7.83 37.32 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.895 0.878 . . . . 35.03 111.31 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.556 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 7.8 p-10 -75.86 -30.54 58.95 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.088 0.955 . . . . 54.42 111.996 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.8 p30 -73.62 96.58 2.49 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.79 0.805 . . . . 64.33 111.622 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.5 t -93.09 118.98 40.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 124.45 1.1 . . . . 51.34 109.738 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.6 t -99.17 107.25 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.121 0.568 . . . . 72.15 110.55 -175.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.8 mt -91.11 136.18 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.36 0.664 . . . . 54.5 109.285 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -109.27 142.85 39.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.11 0.964 . . . . 74.35 111.334 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 19' ' ' VAL . 95.6 mt -134.68 160.16 39.01 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.614 1.166 . . . . 74.55 110.808 -178.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -138.22 148.28 44.63 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.763 0.425 . . . . 74.21 111.074 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -78.08 120.47 22.95 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.775 -0.454 . . . . 62.21 109.775 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.17 -111.3 0.51 Allowed Glycine 0 C--N 1.347 1.187 0 CA-C-N 116.739 -0.21 . . . . 43.12 112.875 -175.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 108.03 -1.1 . . . . 74.41 108.03 169.795 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 CA--C 1.555 1.141 0 N-CA-C 109.752 -0.462 . . . . 64.12 109.752 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -112.53 170.64 8.03 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.556 0.742 . . . . 75.31 112.17 -175.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -112.02 131.93 55.11 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.884 0.874 . . . . 73.15 111.944 -169.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.68 119.28 37.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.703 0.801 . . . . 55.54 109.462 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.539 ' OG1' HG23 ' A' ' 22' ' ' ILE . 9.6 t -98.23 139.75 33.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.373 0.606 . . . . 62.42 111.788 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.579 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mp -105.06 112.7 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 107.808 -1.182 . . . . 75.13 107.808 174.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -125.18 108.18 11.5 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.521 0.729 . . . . 72.24 109.939 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 16.0 m-85 -74.73 140.4 44.09 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.14 -0.689 . . . . 72.02 109.14 172.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.3 m -144.21 145.71 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 124.265 1.026 . . . . 74.0 109.823 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -102.57 130.3 49.39 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.83 -0.544 . . . . 74.22 110.852 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.44 -29.01 68.74 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.301 1.04 . . . . 72.15 112.057 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.56 -37.16 57.32 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.533 1.133 . . . . 62.13 113.124 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.26 23.83 13.23 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 121.232 0.539 . . . . 71.32 110.279 -173.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.63 33.91 63.34 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 115.667 -0.697 . . . . 74.32 113.928 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.5 54.03 3.08 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-O 120.256 -0.191 . . . . 61.11 113.546 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.85 135.69 33.24 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 122.953 0.501 . . . . 53.54 110.979 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -64.05 128.19 34.73 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 123.375 0.67 . . . . 73.54 111.983 -174.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 49.9 t -109.77 123.15 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 124.76 1.224 . . . . 72.4 109.893 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.08 -116.02 4.23 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-O 120.042 -0.31 . . . . 73.13 112.922 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -147.17 166.34 27.27 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.536 0.684 . . . . 65.01 112.61 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.539 HG23 ' OG1' ' A' ' 6' ' ' THR . 2.4 mp -88.07 116.0 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 124.302 1.041 . . . . 72.11 109.66 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 60.2 t -105.97 101.92 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.289 0.635 . . . . 71.43 110.699 -173.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 p -92.37 125.11 36.88 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.763 -0.586 . . . . 72.11 111.82 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.9 m -108.91 151.07 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.228 1.011 . . . . 70.1 109.136 168.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.1 m -129.8 128.61 42.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 122.103 -0.373 . . . . 71.02 110.811 -175.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.55 -157.36 8.8 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 111.963 -0.455 . . . . 64.23 111.963 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 31' ' ' ASP . 14.3 mmmm -112.12 154.91 24.75 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.997 0.519 . . . . 54.12 110.7 -176.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.5 p -59.3 -31.5 69.2 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.453 0.538 . . . . 62.11 112.453 171.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.76 -32.43 69.56 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.955 0.902 . . . . 72.2 111.361 172.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.431 ' HB3' ' H ' ' A' ' 28' ' ' LYS . 34.0 t70 -90.28 153.36 20.52 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.222 1.009 . . . . 63.14 112.003 -174.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.9 p -129.73 139.51 51.3 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.361 0.664 . . . . 44.0 110.481 172.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.432 HG23 ' HB ' ' A' ' 62' ' ' ILE . 9.8 t -116.73 161.81 18.66 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.371 1.068 . . . . 55.24 111.165 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.2 p -107.29 149.68 27.52 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.9 0.88 . . . . 62.42 111.119 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.459 ' CE2' HG21 ' A' ' 7' ' ' ILE . 77.8 t80 -142.0 126.31 17.6 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.021 0.529 . . . . 74.43 110.85 173.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.4 m -87.94 116.21 25.95 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.794 0.438 . . . . 71.43 110.144 173.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.29 125.25 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.599 0.76 . . . . 74.22 110.478 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.9 m -108.23 108.54 19.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.058 0.943 . . . . 54.33 109.929 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.482 HD12 HD21 ' A' ' 76' ' ' LEU . 37.6 mm -92.6 111.08 49.23 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 123.248 0.619 . . . . 62.3 110.386 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.31 146.64 57.32 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.207 1.938 . . . . 64.05 112.664 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.58 135.01 56.5 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 121.304 0.574 . . . . 73.32 111.829 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.6 -24.53 30.56 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 115.188 -0.914 . . . . 55.01 111.756 -168.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 63.2 m-85 -103.93 144.48 31.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.241 0.616 . . . . 71.31 111.389 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 77' ' ' LYS . 15.8 mm-40 -112.23 121.02 43.74 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.761 1.225 . . . . 71.33 110.155 -175.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -67.05 114.07 5.54 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 117.987 0.358 . . . . 74.43 111.806 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -96.68 -49.88 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.539 0.735 . . . . 73.41 110.602 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.43 174.27 46.09 Favored Glycine 0 N--CA 1.473 1.111 0 CA-C-N 115.771 -0.65 . . . . 74.4 112.284 -178.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.2 m -143.9 142.3 30.71 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 117.256 0.528 . . . . 72.52 111.017 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -112.09 154.65 25.1 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.575 1.15 . . . . 74.33 110.397 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.68 -85.82 0.41 Allowed Glycine 0 N--CA 1.477 1.405 0 CA-C-O 120.237 -0.202 . . . . 72.03 113.109 172.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.2 -160.54 36.62 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 114.382 0.513 . . . . 71.44 114.382 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.414 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 88.2 t -93.0 106.23 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.674 0.79 . . . . 63.25 109.355 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.3 t -90.34 143.28 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.668 0.387 . . . . 73.45 111.495 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -67.83 162.11 24.78 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.189 0.996 . . . . 53.15 111.876 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 p -55.39 -39.41 70.12 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.063 0.945 . . . . 73.15 112.011 176.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -94.57 -2.3 51.77 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.679 0.792 . . . . 64.44 111.8 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.52 30.32 76.28 Favored Glycine 0 C--N 1.357 1.72 0 C-N-CA 122.673 0.177 . . . . 54.03 113.409 -175.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -88.98 -30.3 18.87 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.948 0.899 . . . . 72.54 112.217 -177.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -134.85 149.83 50.39 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.694 0.797 . . . . 72.12 110.524 -177.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.8 t -134.98 121.33 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.964 0.906 . . . . 55.52 109.797 175.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.414 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 20.3 m -81.84 103.87 11.81 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 109.229 -0.656 . . . . 55.33 109.229 173.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.432 ' HB ' HG23 ' A' ' 33' ' ' THR . 52.7 mt -90.49 106.72 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 124.372 1.069 . . . . 74.14 110.328 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 m -107.19 125.61 51.33 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.243 -0.651 . . . . 51.41 109.243 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.513 ' HA ' ' HB3' ' A' ' 70' ' ' ASP . 81.4 m-85 -71.8 148.01 46.68 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.69 0.626 . . . . 73.31 112.69 -170.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.82 154.79 43.77 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.049 0.939 . . . . 73.54 110.903 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.63 70.08 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.289 0.636 . . . . 73.33 111.756 174.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -100.09 173.94 6.4 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.018 0.927 . . . . 74.4 110.078 173.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -79.63 73.85 6.32 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.426 0.631 . . . . 52.51 111.03 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.7 m -112.67 -14.51 13.14 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.198 0.999 . . . . 62.52 110.733 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' A' ' 64' ' ' PHE . 1.4 p-10 -95.45 -27.29 15.48 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.805 1.242 . . . . 62.43 111.946 -178.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -69.93 114.13 7.82 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.411 0.684 . . . . 75.34 110.837 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.452 ' HB ' HG13 ' A' ' 7' ' ' ILE . 72.3 t -94.58 121.85 45.53 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 124.783 1.233 . . . . 75.45 111.517 -170.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.97 110.88 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.295 0.638 . . . . 75.21 110.608 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.5 mp -91.25 133.46 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 109.449 -0.574 . . . . 73.52 109.449 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -108.67 133.19 53.1 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.036 0.934 . . . . 74.55 110.297 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.482 HD21 HD12 ' A' ' 39' ' ' ILE . 94.1 mt -128.3 161.94 28.22 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.809 0.844 . . . . 72.13 111.997 -173.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.608 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 48.8 mmtt -120.18 161.05 21.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.686 0.794 . . . . 70.21 110.123 170.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -97.29 138.54 34.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.478 0.711 . . . . 73.32 111.18 175.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 42.15 -106.06 0.07 OUTLIER Glycine 0 CA--C 1.541 1.671 0 N-CA-C 116.61 1.404 . . . . 55.52 116.61 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.556 1.182 0 C-N-CA 124.46 1.104 . . . . 74.03 111.805 -171.463 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 CA--C 1.552 1.055 0 CA-C-O 120.915 0.388 . . . . 73.4 111.225 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -110.99 143.2 42.04 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.606 0.762 . . . . 72.24 111.423 -172.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -97.27 162.13 13.48 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.206 0.602 . . . . 64.33 110.502 173.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.98 125.17 41.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.933 0.893 . . . . 62.42 109.308 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.8 p -97.98 128.79 44.76 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.545 0.738 . . . . 73.03 111.49 -167.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.577 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 26.7 mt -120.32 132.11 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 124.014 0.925 . . . . 72.41 109.411 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.1 m -143.12 121.28 12.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.708 -0.62 . . . . 75.12 111.462 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.408 ' HD2' HD11 ' A' ' 76' ' ' LEU . 28.9 m-85 -79.93 129.36 34.43 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.778 0.831 . . . . 63.24 109.585 172.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 26.8 m -120.22 141.69 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 112.82 0.674 . . . . 74.01 112.82 -174.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 23.7 t0 -90.7 94.25 9.6 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.366 1.066 . . . . 73.32 109.316 175.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.19 -14.92 62.66 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.604 0.965 . . . . 65.24 113.604 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.47 -13.55 58.05 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.302 0.641 . . . . 75.42 110.844 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -118.36 22.66 12.0 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.992 0.917 . . . . 65.42 110.314 -177.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.84 40.43 64.09 Favored Glycine 0 C--N 1.35 1.346 0 CA-C-N 115.936 -0.574 . . . . 60.0 114.101 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.92 48.69 39.44 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 113.724 0.25 . . . . 63.24 113.724 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -74.7 167.73 21.22 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.096 0.558 . . . . 73.51 112.099 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.495 HE21 ' HA ' ' A' ' 21' ' ' ASP . 53.5 tt0 -83.38 120.38 25.81 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.907 -0.496 . . . . 75.33 111.22 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.1 t -101.52 107.95 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.715 0.806 . . . . 74.42 109.082 173.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.86 -121.04 5.3 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 120.103 -0.276 . . . . 54.11 112.812 -176.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.495 ' HA ' HE21 ' A' ' 18' ' ' GLN . 26.4 t0 -147.54 162.19 39.59 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.458 0.703 . . . . 71.15 111.299 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.34 132.04 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.761 0.825 . . . . 44.14 110.768 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.577 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 58.7 t -106.07 112.77 40.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 124.457 1.103 . . . . 61.31 110.084 -177.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.5 p -104.97 130.92 53.06 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.812 0.445 . . . . 72.2 111.198 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.7 m -112.8 138.77 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.683 0.793 . . . . 72.41 109.387 172.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.2 m -106.23 141.65 37.23 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 123.184 0.594 . . . . 64.5 111.999 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.22 -134.1 1.81 Allowed Glycine 0 CA--C 1.533 1.182 0 N-CA-C 111.526 -0.63 . . . . 25.34 111.526 176.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -143.62 156.1 44.46 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 117.644 0.722 . . . . 72.44 110.071 177.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 77.8 p -50.17 -30.03 10.52 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 114.633 1.345 . . . . 72.33 114.633 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.39 -20.02 48.67 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 124.122 0.969 . . . . 73.34 112.361 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -102.84 157.6 16.85 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.519 0.728 . . . . 75.21 112.352 -172.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 m -125.36 154.52 41.72 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.175 0.99 . . . . 55.41 110.644 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 t -138.83 162.23 35.29 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 123.848 0.859 . . . . 63.32 110.557 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -116.09 144.14 44.53 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 121.308 0.575 . . . . 73.3 111.455 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -143.21 139.09 30.12 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.108 0.963 . . . . 60.31 110.269 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.7 m -100.12 138.88 36.59 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.162 0.585 . . . . 73.41 110.92 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.42 HG13 HG21 ' A' ' 74' ' ' ILE . 95.8 t -76.18 131.13 35.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 124.392 1.077 . . . . 55.14 110.63 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.7 p -107.49 112.19 24.84 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.118 0.967 . . . . 63.02 109.942 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 43.1 mm -90.07 113.27 56.57 Favored Pre-proline 0 N--CA 1.49 1.552 0 C-N-CA 123.422 0.689 . . . . 63.2 111.063 -175.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 39' ' ' ILE . 16.2 Cg_exo -69.76 171.21 14.88 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.52 2.813 . . . . 54.04 114.679 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.72 120.82 10.81 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.171 0.988 . . . . 70.21 112.381 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.76 6.58 89.3 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 116.191 -0.459 . . . . 71.04 114.094 177.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -104.29 150.16 24.69 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 117.549 0.675 . . . . 73.44 111.284 176.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -122.36 140.48 52.63 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.497 1.119 . . . . 74.23 109.884 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -67.68 122.01 17.16 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.519 0.728 . . . . 65.55 111.578 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.0 t -92.5 -52.97 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.932 0.493 . . . . 71.34 109.937 173.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.47 156.01 9.62 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.088 -0.506 . . . . 62.53 113.66 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.443 ' HB ' ' HB ' ' A' ' 53' ' ' VAL . 45.5 m -92.65 131.77 37.46 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.223 0.609 . . . . 72.24 111.306 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.483 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 20.9 t0 -109.91 152.49 25.75 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.602 1.161 . . . . 74.31 109.004 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.72 -73.66 2.61 Favored Glycine 0 N--CA 1.477 1.371 0 N-CA-C 113.739 0.256 . . . . 72.42 113.739 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.91 178.65 48.41 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 116.661 0.23 . . . . 74.34 113.579 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 46.3 t -88.1 112.5 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 122.972 0.509 . . . . 75.34 110.087 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.443 ' HB ' ' HB ' ' A' ' 48' ' ' THR . 7.5 p -95.51 140.84 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 122.784 0.434 . . . . 70.45 111.57 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -80.18 174.12 11.92 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.191 0.597 . . . . 62.32 111.971 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 t -61.65 -39.3 90.87 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 113.273 0.842 . . . . 74.54 113.273 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.82 -9.77 58.54 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 122.965 0.506 . . . . 64.23 112.178 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.37 -36.46 3.57 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 115.256 0.862 . . . . 74.03 115.256 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.26 -43.08 87.46 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.058 0.762 . . . . 61.32 113.058 -172.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.6 p -94.94 128.36 41.67 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 122.034 -0.416 . . . . 60.11 110.976 -176.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.5 t -126.91 125.46 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.736 0.814 . . . . 51.55 111.075 -175.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.44 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 48.0 m -82.7 107.02 15.03 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.49 0.716 . . . . 73.0 110.013 171.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.8 mt -103.71 116.83 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.134 0.974 . . . . 73.41 109.808 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 56.3 m -110.3 120.3 41.99 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.97 0.508 . . . . 73.24 109.698 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 29' ' ' THR . 23.9 m-85 -55.26 125.17 19.57 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.289 0.636 . . . . 74.05 109.934 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.25 152.43 46.12 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.872 0.693 . . . . 52.32 112.872 -171.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.03 -30.95 61.21 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 115.504 -0.771 . . . . 74.35 110.282 168.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.48 107.48 14.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.826 0.85 . . . . 71.11 110.702 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 61.18 18.96 9.61 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.98 1.312 . . . . 65.35 113.024 170.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m 60.12 11.89 2.96 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.766 1.226 . . . . 62.22 113.274 -175.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t70 59.49 67.48 0.89 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.455 1.102 . . . . 63.15 110.038 -167.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -70.25 105.55 3.01 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.221 -0.9 . . . . 73.41 111.491 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.9 t -94.97 117.94 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 124.107 0.963 . . . . 73.01 109.672 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.483 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 61.8 t -114.34 110.19 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.324 0.65 . . . . 74.24 110.07 -176.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.42 HG21 HG13 ' A' ' 37' ' ' VAL . 30.5 mm -85.28 110.66 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.252 -0.647 . . . . 70.11 109.252 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -84.58 128.39 34.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.83 0.452 . . . . 75.14 110.363 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.408 HD11 ' HD2' ' A' ' 9' ' ' TYR . 83.3 mt -131.19 138.76 49.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.672 0.789 . . . . 65.24 110.951 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -110.02 172.56 6.79 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.917 0.887 . . . . 74.41 109.726 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -94.38 128.35 40.85 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.945 -0.472 . . . . 53.34 110.693 172.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.95 -67.82 1.51 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.34 -1.504 . . . . 60.42 109.34 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 CA--C 1.56 1.329 0 N-CA-C 108.055 -1.091 . . . . 74.24 108.055 163.324 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 CA--C 1.547 0.855 0 N-CA-C 110.319 -0.252 . . . . 72.54 110.319 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -91.73 145.53 24.5 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.249 0.62 . . . . 52.35 110.678 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -114.16 169.08 9.28 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.559 0.744 . . . . 74.33 112.163 -176.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.81 124.97 8.69 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.465 1.106 . . . . 50.14 109.458 169.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.0 p -104.79 129.47 53.06 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.313 0.645 . . . . 73.34 112.097 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.527 HG13 ' HB ' ' A' ' 72' ' ' VAL . 3.9 mp -109.22 104.73 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.574 0.75 . . . . 64.55 109.332 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.5 m -103.48 121.0 41.93 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.457 0.703 . . . . 75.4 110.484 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -84.23 134.75 34.53 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.005 0.522 . . . . 72.21 109.88 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.25 160.11 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 124.289 1.036 . . . . 72.43 110.313 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.88 125.26 43.69 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 121.44 0.638 . . . . 71.12 111.013 173.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -66.73 -25.69 66.64 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 124.872 1.269 . . . . 62.23 113.993 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -74.66 -7.06 52.06 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 112.558 0.577 . . . . 74.22 112.558 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.518 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 6.0 mmpt? -124.98 29.53 6.12 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.934 0.894 . . . . 54.25 110.331 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.59 28.67 70.65 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-N 115.865 -0.607 . . . . 72.33 113.864 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.88 43.02 15.22 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 123.434 0.137 . . . . 62.14 112.861 -172.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.57 132.3 37.1 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.599 0.36 . . . . 51.14 110.559 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.89 131.98 45.98 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.371 0.668 . . . . 74.52 112.484 -171.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -99.67 104.87 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 N-CA-C 107.903 -1.147 . . . . 72.31 107.903 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.43 -137.85 23.31 Favored Glycine 0 CA--C 1.541 1.685 0 CA-C-O 120.258 -0.19 . . . . 72.42 112.886 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -114.58 -179.23 3.57 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.491 0.716 . . . . 54.52 111.542 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.436 HD12 ' H ' ' A' ' 22' ' ' ILE . 3.6 mp -86.74 140.85 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.435 0.694 . . . . 75.23 109.204 173.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -108.12 100.72 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 122.901 0.48 . . . . 54.51 110.244 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.1 m -89.47 118.95 29.5 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 122.061 -0.399 . . . . 74.11 110.409 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -105.21 144.88 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 123.467 0.707 . . . . 70.21 109.315 171.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -132.87 156.65 46.81 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 113.011 0.745 . . . . 44.14 113.011 -167.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 157.12 -116.56 0.72 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 115.623 -0.717 . . . . 31.24 112.231 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -165.39 153.41 11.28 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.274 1.03 . . . . 75.43 109.112 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -54.85 -21.34 11.07 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 114.961 1.467 . . . . 72.13 114.961 -170.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.87 -26.68 67.75 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.589 1.156 . . . . 62.44 112.126 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -102.06 138.44 39.01 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.878 0.871 . . . . 71.41 110.627 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -121.37 142.09 50.33 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.462 0.705 . . . . 73.42 110.951 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -145.17 149.46 35.01 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.51 0.724 . . . . 61.41 110.862 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.2 p -102.6 112.69 25.55 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 109.691 -0.485 . . . . 55.44 109.691 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -82.05 132.63 35.25 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.422 0.689 . . . . 71.14 109.762 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 t -76.42 114.21 14.87 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-O 121.436 0.636 . . . . 64.14 111.474 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.6 t -78.87 121.51 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.194 0.597 . . . . 61.21 110.368 175.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.1 p -97.37 114.12 25.88 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.103 0.561 . . . . 70.42 110.521 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.48 112.03 50.69 Favored Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.658 0.783 . . . . 73.24 110.197 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.24 157.51 50.01 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.627 2.218 . . . . 63.23 112.77 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -67.39 126.41 29.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.224 0.61 . . . . 62.13 111.015 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.58 -12.37 61.33 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 115.956 -0.565 . . . . 74.1 113.242 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -108.99 141.35 41.22 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.438 0.695 . . . . 73.32 110.886 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -122.46 136.38 54.88 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.788 1.235 . . . . 74.1 110.076 -175.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -66.59 113.53 4.84 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 122.765 0.426 . . . . 75.22 111.572 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.2 t -87.97 -60.6 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.449 0.699 . . . . 73.44 110.597 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.72 -176.88 42.51 Favored Glycine 0 C--N 1.342 0.875 0 CA-C-N 115.105 -0.952 . . . . 74.31 112.558 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.5 m -150.42 139.7 21.29 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.143 0.577 . . . . 74.51 110.982 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -116.84 150.27 38.66 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.713 0.805 . . . . 72.11 110.504 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.66 -150.14 22.23 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-O 119.293 -0.726 . . . . 74.45 112.831 -172.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -28.7 155.34 0.0 OUTLIER Glycine 0 N--CA 1.493 2.469 0 N-CA-C 118.088 1.995 . . . . 65.33 118.088 171.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.7 t -77.23 120.96 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.757 0.823 . . . . 75.21 111.594 -161.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.1 p -97.55 155.62 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 CA-C-O 121.16 0.505 . . . . 73.44 112.053 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -71.44 164.83 25.04 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.242 1.017 . . . . 75.11 112.67 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.7 p -61.49 -32.36 72.37 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.365 1.066 . . . . 60.34 111.944 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -96.37 -14.34 22.57 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.903 0.881 . . . . 63.44 111.398 177.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.71 35.77 62.17 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-N 116.236 -0.438 . . . . 73.45 112.574 -169.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.3 -27.6 22.78 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.933 0.493 . . . . 63.42 111.828 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.5 p -142.75 158.53 43.55 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.071 0.948 . . . . 43.41 111.336 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.576 HG11 HG11 ' A' ' 72' ' ' VAL . 11.1 m -129.02 125.25 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.412 1.085 . . . . 75.13 110.212 170.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.9 m -82.52 128.94 34.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.878 0.871 . . . . 73.55 109.66 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 49.7 mm -124.01 136.12 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 C-N-CA 124.371 1.068 . . . . 63.41 111.438 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 p -125.07 114.65 19.35 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.479 -1.304 . . . . 55.13 107.479 164.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -67.62 113.07 5.12 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.813 0.845 . . . . 75.04 110.355 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.52 146.53 32.44 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.279 0.844 . . . . 51.43 113.279 -169.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.93 1.73 16.8 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 114.848 -1.069 . . . . 51.55 111.732 168.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.96 -29.72 62.14 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.773 1.229 . . . . 61.33 111.097 171.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 70.7 9.34 6.83 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.342 1.608 . . . . 63.03 115.342 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.2 m -65.43 -65.78 0.63 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 118.798 0.727 . . . . 62.11 111.0 172.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -34.12 -7.65 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 118.296 2.702 . . . . 73.31 118.296 164.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -69.78 99.86 1.42 Allowed 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 119.677 1.126 . . . . 42.13 108.919 163.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.576 HG11 HG11 ' A' ' 60' ' ' VAL . 52.3 t -84.93 143.84 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.15 0.98 . . . . 73.23 111.628 -174.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.3 t -127.11 118.84 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 123.289 0.636 . . . . 72.52 109.584 167.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.1 mm -90.24 119.62 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.078 0.951 . . . . 75.14 109.852 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -92.44 131.91 37.21 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.714 0.806 . . . . 75.32 110.309 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.14 145.19 51.87 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.86 0.864 . . . . 73.44 110.801 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -124.56 150.91 45.39 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.75 -0.594 . . . . 73.43 110.822 173.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -74.92 137.8 41.94 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 122.705 0.402 . . . . 63.53 110.886 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.27 42.53 1.92 Allowed Glycine 0 N--CA 1.473 1.163 0 N-CA-C 111.317 -0.713 . . . . 73.41 111.317 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 123.848 0.859 . . . . 73.24 109.687 -173.295 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.739 0.304 . . . . 72.02 111.711 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -90.04 134.91 33.97 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.68 0.792 . . . . 62.41 110.512 173.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -114.13 144.84 42.5 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.579 0.752 . . . . 64.33 110.455 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -107.66 169.25 8.71 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.972 0.891 . . . . 74.34 113.354 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.09 118.82 7.53 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 113.95 -1.477 . . . . 34.02 108.15 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -105.73 123.71 48.38 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.076 0.465 . . . . 64.33 110.152 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.557 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 11.7 mt -103.5 97.83 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.689 -0.856 . . . . 72.24 108.689 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.8 m -106.23 111.29 23.83 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 110.114 -0.328 . . . . 51.12 110.114 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -73.48 124.7 26.34 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 108.926 -0.768 . . . . 71.13 108.926 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 m -126.92 150.86 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.861 0.864 . . . . 72.42 110.419 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -92.88 96.82 10.36 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.479 -0.563 . . . . 63.23 109.479 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.499 ' HB2' ' HB3' ' A' ' 75' ' ' HIS . 15.1 t70 -61.62 -19.33 62.14 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.89 1.276 . . . . 65.23 112.582 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' A' ' 77' ' ' LYS . 14.3 t70 -80.9 -26.69 36.64 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.598 0.759 . . . . 63.43 111.05 175.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.44 41.37 2.33 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.659 0.784 . . . . 75.04 110.689 -173.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.84 28.92 70.96 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 115.258 0.863 . . . . 65.35 115.258 176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.05 23.66 56.79 Favored Glycine 0 CA--C 1.54 1.642 0 N-CA-C 114.791 0.676 . . . . 71.42 114.791 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.88 132.08 43.06 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 117.632 0.716 . . . . 72.33 111.13 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.511 HE22 HG13 ' A' ' 22' ' ' ILE . 64.4 tt0 -61.03 131.24 49.99 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 113.862 1.06 . . . . 72.25 113.862 -166.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.64 111.42 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.247 1.019 . . . . 70.11 108.46 172.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.76 -113.28 3.76 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 120.174 -0.237 . . . . 31.24 113.278 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -150.49 171.8 16.48 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.361 0.601 . . . . 64.52 112.223 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.511 HG13 HE22 ' A' ' 18' ' ' GLN . 62.3 mt -81.29 132.62 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.74 0.816 . . . . 75.22 110.481 176.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 21.8 t -93.64 100.81 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 N-CA-C 108.814 -0.809 . . . . 64.13 108.814 174.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.6 m -86.83 106.06 17.46 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.834 0.454 . . . . 65.4 110.019 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.1 m -115.98 139.15 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 122.759 0.424 . . . . 62.02 109.868 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.0 p -130.03 156.36 44.62 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.351 0.66 . . . . 73.14 110.829 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.82 -140.21 4.6 Favored Glycine 0 N--CA 1.468 0.768 0 CA-C-N 115.722 -0.672 . . . . 73.4 111.823 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -124.4 155.74 38.31 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.339 0.569 . . . . 64.34 110.164 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.8 m -53.65 -30.57 43.76 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.44 0.696 . . . . 70.13 112.699 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.86 -30.5 71.56 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.427 0.691 . . . . 64.33 112.295 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -92.36 135.6 33.89 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.78 0.832 . . . . 73.44 111.89 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -119.8 138.03 53.61 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.537 0.735 . . . . 65.32 109.859 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -109.42 152.86 24.81 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.777 0.831 . . . . 71.22 111.623 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.553 HG22 HG22 ' A' ' 61' ' ' THR . 61.1 p -113.16 115.89 28.97 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.735 0.814 . . . . 52.34 109.681 173.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -115.7 125.47 52.86 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.585 0.754 . . . . 73.52 111.11 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.5 m -84.2 128.8 34.79 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.827 0.451 . . . . 72.13 110.046 173.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.3 t -74.54 131.51 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 124.135 0.974 . . . . 73.31 110.15 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.1 p -105.71 114.19 28.2 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.097 0.959 . . . . 74.05 109.67 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.0 mm -93.49 107.85 29.52 Favored Pre-proline 0 CA--C 1.557 1.224 0 C-N-CA 123.475 0.71 . . . . 63.54 110.935 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -83.74 169.83 11.76 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.894 2.396 . . . . 74.43 113.849 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.27 109.11 1.04 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 114.052 1.13 . . . . 73.43 114.052 -172.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.37 10.46 58.19 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 115.771 -0.649 . . . . 61.35 114.456 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 37.0 m-85 -119.81 140.44 50.77 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 117.542 0.671 . . . . 73.55 110.563 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -118.27 129.58 55.55 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.351 1.06 . . . . 72.41 110.824 -171.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -63.7 115.47 4.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 118.174 0.443 . . . . 72.4 111.914 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.6 t -94.14 -55.13 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.556 0.743 . . . . 62.24 110.114 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.26 172.9 44.97 Favored Glycine 0 C--N 1.349 1.257 0 CA-C-N 115.701 -0.681 . . . . 70.35 113.708 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 76.6 m -136.02 139.93 43.49 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.032 0.933 . . . . 54.31 110.175 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -130.94 153.84 48.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.57 0.748 . . . . 62.44 110.857 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.54 -139.68 14.69 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-O 118.19 -1.339 . . . . 75.33 110.098 -166.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 3.2 116.31 0.0 OUTLIER Glycine 0 N--CA 1.494 2.512 0 N-CA-C 116.48 1.352 . . . . 70.14 116.48 153.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.18 106.08 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.352 0.661 . . . . 75.4 110.666 -168.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 60' ' ' VAL . 12.5 p -77.65 139.84 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 C-N-CA 122.818 0.447 . . . . 62.02 111.349 -173.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.2 t -71.67 164.87 25.14 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.366 0.666 . . . . 71.24 111.744 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.9 m -64.31 -27.82 69.29 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.356 0.662 . . . . 75.21 112.511 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -82.39 -18.65 41.25 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.181 0.592 . . . . 75.23 112.327 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.4 -20.36 5.08 Favored Glycine 0 CA--C 1.544 1.85 0 N-CA-C 115.268 0.867 . . . . 74.55 115.268 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 58' ' ' LYS . 9.0 mtmp? -79.06 -16.59 56.59 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.932 0.893 . . . . 74.21 112.067 -175.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.5 p -126.69 152.66 46.47 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.553 0.741 . . . . 72.24 110.671 173.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.438 HG22 HG23 ' A' ' 53' ' ' VAL . 94.1 t -138.41 118.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 124.421 1.088 . . . . 52.32 109.988 -175.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.553 HG22 HG22 ' A' ' 34' ' ' THR . 69.4 p -83.11 103.36 12.48 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 121.727 0.775 . . . . 64.42 110.211 173.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.8 mt -93.15 150.4 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.13 1.372 . . . . 74.24 110.144 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.5 m -140.98 133.22 28.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.828 -0.545 . . . . 61.2 110.516 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -72.61 136.94 45.84 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.987 0.915 . . . . 71.51 111.449 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.93 131.13 38.67 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.909 0.484 . . . . 75.44 111.409 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.5 -21.45 48.9 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.085 0.554 . . . . 54.42 111.239 171.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.98 -62.09 1.81 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.941 0.896 . . . . 75.55 110.845 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.81 -44.95 19.64 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.159 0.983 . . . . 74.43 112.43 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m 56.42 96.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.674 -1.232 . . . . 50.23 107.674 -156.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -67.81 82.39 0.19 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.772 0.796 . . . . 72.43 111.564 -155.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -69.26 97.07 0.9 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 114.584 -1.189 . . . . 65.45 110.143 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.9 t -87.7 116.4 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 N-CA-C 108.845 -0.798 . . . . 71.11 108.845 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.8 t -110.04 110.65 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.274 0.629 . . . . 43.25 110.123 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 61.9 mt -100.99 108.59 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 123.221 0.608 . . . . 70.13 109.783 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 43.4 m-70 -83.45 132.85 34.94 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.351 1.06 . . . . 73.3 110.591 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.7 mt -132.22 137.32 47.52 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 123.366 0.667 . . . . 73.42 111.289 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.491 ' HA ' ' HB2' ' A' ' 13' ' ' ASP . 67.8 mttm -107.69 170.99 7.64 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.4 -0.813 . . . . 73.4 111.35 174.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -89.14 128.75 35.8 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 122.15 -0.344 . . . . 73.55 111.015 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.62 -123.93 3.71 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-N 116.411 -0.359 . . . . 65.11 112.304 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.3 tp -116.73 107.19 14.35 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.053 0.541 . . . . 72.44 109.808 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -70.84 122.79 20.56 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.115 0.566 . . . . 64.15 111.537 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -100.14 25.44 7.47 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 123.823 0.849 . . . . 72.4 110.885 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 62.82 84.83 0.14 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.985 1.314 . . . . 71.44 112.745 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -167.91 -176.71 3.13 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.748 0.819 . . . . 72.22 111.802 174.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.83 118.75 4.52 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.795 1.238 . . . . 73.44 112.961 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -81.05 148.82 29.5 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.592 0.757 . . . . 74.31 109.914 173.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 121.582 0.706 . . . . 73.43 110.591 -177.18 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 110.323 -0.251 . . . . 73.12 110.323 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -98.7 163.08 12.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.338 0.655 . . . . 50.32 111.31 -176.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 64' ' ' PHE . 12.3 tp10 -112.02 146.46 37.87 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.911 0.884 . . . . 75.24 111.214 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -109.57 124.75 51.65 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.944 0.898 . . . . 71.34 109.797 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.75 138.16 44.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.51 1.124 . . . . 44.31 110.323 -175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.493 ' HA ' HG22 ' A' ' 24' ' ' THR . 67.2 p -96.96 138.9 33.79 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.489 0.716 . . . . 73.33 112.202 -169.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.1 mt -128.69 110.71 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 124.935 1.294 . . . . 71.43 108.802 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.7 m -117.86 109.44 16.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.794 0.437 . . . . 65.3 111.049 -174.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -73.13 133.14 44.01 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 108.73 -0.841 . . . . 61.33 108.73 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 m -133.52 166.14 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.021 0.928 . . . . 72.43 110.289 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -126.95 115.48 19.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.396 0.678 . . . . 73.12 109.547 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -67.1 -26.24 66.61 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 124.46 1.104 . . . . 54.52 113.069 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -76.69 -8.57 57.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.948 -0.47 . . . . 60.23 111.171 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.8 mmpt? -105.62 18.68 21.8 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.144 0.978 . . . . 51.32 110.214 168.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.25 30.69 69.26 Favored Glycine 0 C--N 1.355 1.588 0 C-N-CA 123.183 0.421 . . . . 60.34 114.149 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.71 31.02 51.22 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 122.891 0.281 . . . . 63.12 113.394 -177.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.35 140.04 31.86 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.476 0.71 . . . . 63.31 110.902 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -68.93 140.88 55.1 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.214 0.82 . . . . 74.22 113.214 -169.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.14 109.67 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.3 1.04 . . . . 73.04 108.845 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.48 -156.92 45.43 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.265 0.353 . . . . 42.42 113.153 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -94.13 154.9 17.35 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.124 0.569 . . . . 74.04 110.369 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.18 130.2 34.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.184 0 C-N-CA 123.198 0.599 . . . . 64.53 110.354 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.7 t -93.55 140.51 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 108.096 -1.075 . . . . 64.14 108.096 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.493 HG22 ' HA ' ' A' ' 6' ' ' THR . 56.6 p -131.91 145.81 51.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.67 -0.644 . . . . 55.14 112.031 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 m -116.33 138.44 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 124.466 1.106 . . . . 75.23 109.962 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.8 m -113.72 140.24 48.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.868 -0.52 . . . . 70.24 111.7 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.1 174.87 42.08 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.746 0.689 . . . . 65.22 111.571 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -81.24 154.15 26.77 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.141 -0.689 . . . . 73.12 109.141 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.6 p -55.13 -28.24 51.22 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 113.782 1.03 . . . . 33.11 113.782 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.76 -13.48 61.33 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.992 0.917 . . . . 70.3 112.874 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -101.94 151.93 21.53 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.505 0.722 . . . . 72.21 111.886 -177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -125.68 139.18 53.77 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.276 1.03 . . . . 62.44 108.672 167.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.0 t -115.97 160.69 19.91 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.624 0.769 . . . . 74.44 110.808 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.8 m -114.62 125.43 53.75 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.154 0.582 . . . . 63.33 109.639 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -112.53 131.56 55.54 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.129 0.972 . . . . 64.44 110.396 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.9 m -84.39 117.34 23.56 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.842 0.457 . . . . 65.12 110.659 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.28 116.11 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 124.471 1.108 . . . . 62.21 110.128 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.7 p -102.37 119.55 39.0 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.611 0.765 . . . . 75.15 110.677 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.7 mm -90.34 119.36 69.18 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.446 0.698 . . . . 72.31 110.794 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.08 143.24 25.55 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 123.045 2.497 . . . . 62.23 112.533 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.15 120.49 12.2 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.453 0.701 . . . . 72.34 110.767 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.36 -25.52 17.62 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 123.544 0.592 . . . . 51.43 112.63 -172.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -104.84 126.84 52.32 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.143 0.977 . . . . 73.34 110.08 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HB2' ' HG2' ' A' ' 77' ' ' LYS . 11.5 mm-40 -100.3 130.25 46.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.061 0.944 . . . . 71.54 109.894 -175.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -65.02 115.25 5.22 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.328 0.651 . . . . 73.22 111.264 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.5 t -93.46 -42.52 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.415 0.686 . . . . 73.41 110.099 177.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.74 -174.27 43.98 Favored Glycine 0 C--N 1.346 1.103 0 CA-C-N 116.005 -0.543 . . . . 70.14 113.747 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.4 m -132.36 139.28 48.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.292 1.037 . . . . 63.42 109.826 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.63 152.41 45.21 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.435 1.094 . . . . 71.01 110.636 -174.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.41 -72.46 1.52 Allowed Glycine 0 N--CA 1.479 1.521 0 C-N-CA 122.76 0.219 . . . . 54.44 112.747 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.01 172.81 48.16 Favored Glycine 0 N--CA 1.478 1.495 0 CA-C-N 116.548 0.174 . . . . 70.22 113.069 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' HB ' HG22 ' A' ' 61' ' ' THR . 31.7 t -86.57 107.8 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 109.774 -0.454 . . . . 63.34 109.774 -176.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.4 p -84.2 147.99 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 122.926 0.49 . . . . 75.52 111.315 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.9 t -69.54 160.81 30.79 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.547 0.739 . . . . 72.21 111.08 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 t -62.17 -31.27 71.75 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.731 0.812 . . . . 72.41 113.078 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -89.61 -10.81 44.6 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.358 0.663 . . . . 75.21 112.386 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.33 12.25 84.75 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 114.703 0.641 . . . . 75.33 114.703 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 58' ' ' LYS . 5.2 ttpm? -78.8 -36.02 43.38 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.627 0.771 . . . . 71.15 112.2 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.9 p -131.86 165.69 23.27 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.424 0.69 . . . . 64.44 111.604 -175.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.57 131.22 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.187 0.995 . . . . 75.33 110.387 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.41 HG22 ' HB ' ' A' ' 52' ' ' VAL . 11.0 t -88.94 123.59 33.43 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.681 0.753 . . . . 61.12 110.714 175.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.606 HG12 HG21 ' A' ' 72' ' ' VAL . 18.1 mt -116.1 119.3 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.688 1.195 . . . . 72.01 109.7 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.9 m -107.66 129.8 54.98 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.553 -0.536 . . . . 61.0 109.553 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.448 ' HB3' ' HB3' ' A' ' 3' ' ' GLU . 38.3 m-85 -74.27 138.72 43.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.8 0.84 . . . . 62.31 110.982 -170.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.2 153.24 32.33 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 112.411 0.523 . . . . 71.22 112.411 -175.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.55 22.09 0.6 Allowed 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 124.196 0.999 . . . . 21.34 111.432 171.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -132.3 158.61 41.42 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.039 1.336 . . . . 75.12 109.748 -174.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.0 -8.69 17.03 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 113.684 0.994 . . . . 73.0 113.684 -178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.5 p -65.33 -10.63 34.53 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 113.751 1.019 . . . . 41.12 113.751 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.65 -31.2 72.32 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.838 0.855 . . . . 64.42 112.633 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.99 133.98 56.64 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.09 0.956 . . . . 64.31 113.348 -172.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.606 HG21 HG12 ' A' ' 62' ' ' ILE . 88.9 t -124.64 117.15 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 N-CA-C 108.796 -0.816 . . . . 74.44 108.796 171.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.47 112.07 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.364 0.665 . . . . 70.42 109.912 -177.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.0 mm -85.81 117.59 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 109.384 -0.599 . . . . 55.13 109.384 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -94.97 119.98 34.4 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.24 0.616 . . . . 73.12 110.783 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.4 mt -121.33 169.07 10.96 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.664 1.186 . . . . 74.11 109.355 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' HG2' ' HB2' ' A' ' 44' ' ' GLU . 13.0 ptmm? -143.52 171.4 14.21 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.648 -0.501 . . . . 72.11 109.648 175.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -90.89 146.79 23.62 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.659 -0.65 . . . . 74.15 111.318 175.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.82 -148.08 16.15 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.763 -0.653 . . . . 71.12 112.458 171.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.71 117.54 19.95 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.711 0.404 . . . . 64.41 110.396 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.12 139.37 56.17 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.189 0.596 . . . . 63.12 112.106 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -110.55 96.98 6.53 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.846 0.858 . . . . 75.14 110.309 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -133.78 159.48 40.49 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.652 0.781 . . . . 70.51 111.218 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -100.05 -178.67 3.91 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.819 0.847 . . . . 73.45 110.915 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -69.99 138.9 52.62 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.888 0.475 . . . . 75.13 110.905 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -62.67 129.75 41.92 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.261 0.625 . . . . 64.31 111.199 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.0 t60 . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.161 0.984 . . . . 73.22 111.753 -178.893 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.258 0.075 . . . . 53.31 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -103.79 141.03 36.81 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.428 0.691 . . . . 73.33 109.335 167.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.549 ' HG2' ' HB ' ' A' ' 29' ' ' THR . 13.3 mp0 -100.53 140.29 35.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.267 0.627 . . . . 73.53 111.25 -167.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.29 162.6 23.41 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.348 0.594 . . . . 73.11 111.052 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.59 133.6 38.46 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.866 0.866 . . . . 50.41 109.655 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.7 p -100.03 126.13 46.18 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.321 0.648 . . . . 74.43 110.781 -173.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.57 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 26.4 mt -106.82 101.42 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.923 0.889 . . . . 63.34 109.681 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.3 m -110.24 111.49 22.84 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.336 0.655 . . . . 73.31 110.179 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -73.16 130.15 39.62 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.448 -0.575 . . . . 63.52 109.448 169.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.06 149.24 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.017 0.927 . . . . 63.22 109.694 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -91.07 105.34 17.75 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.524 -0.547 . . . . 70.3 109.524 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.25 -27.19 67.03 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.188 1.395 . . . . 62.12 111.853 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.34 -15.81 62.41 Favored 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 123.315 0.646 . . . . 74.42 111.662 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 17.31 15.72 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.721 0.808 . . . . 61.41 110.846 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.5 18.52 67.87 Favored Glycine 0 CA--C 1.543 1.801 0 N-CA-C 115.501 0.96 . . . . 41.35 115.501 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.43 51.07 0.47 Allowed Glycine 0 N--CA 1.48 1.632 0 CA-C-N 117.516 0.658 . . . . 34.3 114.247 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.33 122.59 37.04 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.048 0.539 . . . . 65.32 110.801 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.43 121.53 12.31 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.028 0.531 . . . . 71.42 112.327 -172.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -95.33 106.01 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 124.118 0.967 . . . . 73.52 109.186 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.51 -104.76 2.0 Allowed Glycine 0 CA--C 1.538 1.5 0 CA-C-O 119.889 -0.395 . . . . 74.4 112.275 -173.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -162.53 -177.88 5.89 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.253 0.621 . . . . 73.11 111.635 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.2 mt -80.99 140.74 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 123.957 0.903 . . . . 64.14 111.831 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 36.0 t -106.4 100.29 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 123.698 0.799 . . . . 65.21 108.928 172.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 m -86.11 114.98 23.4 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 121.974 -0.454 . . . . 73.05 109.886 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -104.44 139.51 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.702 0.401 . . . . 60.41 110.095 172.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.8 p -111.62 145.55 38.99 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 122.915 0.486 . . . . 72.32 111.053 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.78 -141.21 3.14 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 115.272 -0.876 . . . . 63.42 111.572 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -136.06 140.33 43.72 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 117.146 0.473 . . . . 73.3 110.026 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.549 ' HB ' ' HG2' ' A' ' 3' ' ' GLU . 8.9 t -57.96 -20.31 37.02 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 114.358 1.244 . . . . 61.41 114.358 -176.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.57 -38.58 84.3 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.814 0.846 . . . . 64.04 111.576 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -110.31 165.07 12.07 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 122.004 0.907 . . . . 75.12 112.895 -171.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 63' ' ' THR . 88.1 p -114.36 170.23 8.45 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.123 -1.399 . . . . 72.45 110.67 173.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.5 t -137.39 160.82 37.99 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.615 0.766 . . . . 55.01 110.571 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 p -109.3 128.48 55.12 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.454 0.701 . . . . 74.41 109.887 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -121.89 122.53 39.61 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.404 0.682 . . . . 70.25 109.982 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -76.47 122.73 24.96 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.85 -0.426 . . . . 73.14 109.85 174.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.6 t -74.36 125.26 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 N-CA-C 108.966 -0.754 . . . . 74.44 108.966 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 p -105.94 113.59 27.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.459 0.704 . . . . 72.42 109.578 -175.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mm -92.64 109.21 37.2 Favored Pre-proline 0 N--CA 1.484 1.265 0 C-N-CA 122.932 0.493 . . . . 65.23 110.027 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HD2' HD13 ' A' ' 76' ' ' LEU . 48.1 Cg_endo -65.8 145.85 81.87 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 122.463 2.109 . . . . 51.35 112.1 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.8 113.8 1.63 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.342 1.057 . . . . 54.21 112.122 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.47 -6.86 28.3 Favored Glycine 0 N--CA 1.481 1.639 0 C-N-CA 122.967 0.318 . . . . 75.02 113.731 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -109.11 161.08 15.54 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.552 0.741 . . . . 72.5 111.392 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -127.98 144.09 51.1 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.2 1.0 . . . . 74.41 109.857 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -69.85 132.52 46.16 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 122.858 0.463 . . . . 73.22 111.863 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 52.1 t -108.69 -61.75 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.399 0.68 . . . . 75.2 111.44 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.61 165.24 37.66 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-O 120.054 -0.303 . . . . 64.11 113.446 -174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.7 m -121.79 138.7 54.27 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.38 0.672 . . . . 65.41 111.508 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.589 ' HB2' ' HB ' ' A' ' 73' ' ' VAL . 22.2 m-20 -110.55 154.32 23.88 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.711 1.204 . . . . 75.21 110.437 178.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.66 -70.06 3.24 Favored Glycine 0 N--CA 1.479 1.5 0 N-CA-C 113.784 0.273 . . . . 63.21 113.784 172.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.58 -179.33 52.91 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 122.611 0.148 . . . . 63.34 113.263 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.1 t -105.33 115.31 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 123.282 0.633 . . . . 74.55 109.731 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.3 p -83.86 147.62 5.61 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 CA-C-O 121.123 0.487 . . . . 71.14 111.176 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -72.59 163.3 28.27 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.577 0.751 . . . . 64.23 112.098 176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.0 p -58.99 -35.66 73.61 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 124.599 1.159 . . . . 75.24 113.075 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -84.99 -13.13 51.58 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.239 0.615 . . . . 72.12 112.094 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.37 6.58 80.79 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 114.767 0.667 . . . . 54.35 114.767 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -80.88 -35.94 31.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.511 0.724 . . . . 72.34 111.398 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.8 p -126.06 162.09 26.11 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.814 0.846 . . . . 73.54 111.461 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.6 p -130.81 122.87 53.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 C-N-CA 124.55 1.14 . . . . 75.43 109.782 174.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.8 m -77.38 108.85 10.82 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.445 -0.576 . . . . 75.41 109.445 171.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.437 HG12 HG21 ' A' ' 72' ' ' VAL . 21.4 mt -104.71 110.3 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.699 0.8 . . . . 74.32 110.076 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 12.4 m -91.76 148.43 22.25 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 108.905 -0.776 . . . . 74.42 108.905 175.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -88.39 141.64 28.38 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.895 -0.503 . . . . 75.34 111.164 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.03 153.19 42.71 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.916 0.886 . . . . 71.33 110.223 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.4 -18.81 65.57 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.464 0.705 . . . . 12.33 112.035 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -116.12 -173.2 2.32 Favored 'General case' 0 CA--C 1.561 1.401 0 C-N-CA 124.554 1.142 . . . . 70.21 111.575 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -90.63 13.39 16.11 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.095 1.146 . . . . 73.21 114.095 -170.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.8 t -62.54 -24.36 67.47 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 113.524 0.935 . . . . 74.44 113.524 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -116.84 10.09 14.07 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.584 0.754 . . . . 61.13 112.014 -173.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.416 HD22 ' N ' ' A' ' 71' ' ' ASN . 0.8 OUTLIER -70.16 116.48 10.58 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.096 0.558 . . . . 44.31 109.694 175.097 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 99.4 t -88.47 126.17 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.53 0.732 . . . . 51.14 111.686 -167.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.589 ' HB ' ' HB2' ' A' ' 49' ' ' ASP . 72.9 t -118.5 103.21 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 N-CA-C 108.997 -0.742 . . . . 54.32 108.997 174.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.5 mt -89.14 125.86 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.462 0.705 . . . . 71.22 110.466 -176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -98.09 125.64 43.18 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.2 1.0 . . . . 74.44 109.994 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.479 HD13 ' HD2' ' A' ' 40' ' ' PRO . 57.5 mt -128.04 134.87 49.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.239 0.616 . . . . 74.55 109.807 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -102.63 172.68 6.71 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 109.965 -0.383 . . . . 72.13 109.965 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -87.94 142.43 27.8 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.938 -0.393 . . . . 50.22 109.938 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.77 116.63 8.47 Favored Glycine 0 C--N 1.349 1.279 0 N-CA-C 111.124 -0.791 . . . . 72.04 111.124 170.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.76 83.61 0.3 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.389 0.675 . . . . 75.11 112.74 -163.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 30.24 -80.09 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 128.045 2.538 . . . . 74.03 115.979 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -92.28 144.75 25.08 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.973 -0.454 . . . . 74.0 111.115 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -76.96 157.0 31.54 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.875 0.47 . . . . 74.41 110.823 173.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 62.69 34.69 14.6 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.418 1.087 . . . . 73.32 111.195 -170.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -74.44 -12.95 60.64 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.283 0.845 . . . . 55.31 113.283 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -143.1 136.51 28.35 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.217 0.607 . . . . 74.53 109.855 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.2 t60 . . . . . 0 N--CA 1.486 1.343 0 C-N-CA 124.024 0.93 . . . . 70.44 111.15 177.752 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 109.93 -0.396 . . . . 64.52 109.93 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -111.26 106.05 14.91 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.74 0.816 . . . . 64.31 110.874 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -98.71 138.47 35.83 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.338 0.655 . . . . 74.41 110.19 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -113.17 148.83 34.62 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-O 121.417 0.627 . . . . 65.02 112.418 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.454 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -114.02 135.96 53.44 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.65 1.18 . . . . 64.21 110.083 176.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -111.53 126.72 55.28 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.526 0.73 . . . . 71.12 111.083 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.71 123.55 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.76 0.824 . . . . 71.5 109.938 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.2 m -121.28 115.47 23.05 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.08 0.552 . . . . 72.11 110.608 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -75.83 135.32 40.22 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.96 0.504 . . . . 73.43 109.966 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.19 150.2 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 123.392 0.677 . . . . 71.21 111.158 -177.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -105.63 111.83 24.67 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.314 0.646 . . . . 75.35 110.509 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.07 -24.92 68.13 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 124.815 1.246 . . . . 72.11 113.441 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -86.51 -3.75 59.06 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 112.367 0.506 . . . . 70.52 112.367 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -124.09 23.66 8.41 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.549 0.74 . . . . 63.22 110.48 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.61 35.01 79.91 Favored Glycine 0 C--N 1.351 1.369 0 CA-C-N 116.093 -0.503 . . . . 72.21 114.208 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.9 40.66 43.55 Favored Glycine 0 CA--C 1.541 1.677 0 N-CA-C 114.33 0.492 . . . . 74.22 114.33 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.59 145.64 30.53 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 117.44 0.62 . . . . 74.1 111.527 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -60.73 123.22 16.83 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 113.093 0.775 . . . . 64.31 113.093 -173.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.1 t -93.59 106.14 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.003 0 C-N-CA 123.788 0.835 . . . . 64.55 109.249 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.8 -96.98 0.47 Allowed Glycine 0 CA--C 1.536 1.372 0 N-CA-C 114.726 0.65 . . . . 72.42 114.726 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.54 159.31 29.43 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 113.349 0.87 . . . . 72.4 113.349 -163.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.3 mt -106.75 123.4 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.012 0.925 . . . . 64.25 108.551 163.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.96 108.44 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.667 0.787 . . . . 65.13 110.509 -176.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 m -98.07 106.4 18.69 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.696 -0.483 . . . . 71.01 109.696 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -104.01 141.08 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.12 0.568 . . . . 45.31 110.116 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.4 m -121.99 135.07 54.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.863 -0.523 . . . . 64.12 111.893 -173.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.68 -110.54 0.41 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 111.079 -0.808 . . . . 64.31 111.079 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 82.5 tttt -155.73 151.59 27.52 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.221 0.608 . . . . 74.33 110.161 173.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.3 t -58.29 -24.29 59.06 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 113.342 0.867 . . . . 62.1 113.342 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.98 -36.74 64.56 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.921 0.888 . . . . 71.23 110.986 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -85.76 158.91 19.89 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 124.046 0.938 . . . . 72.11 112.189 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.1 p -133.46 159.53 40.08 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.879 0.871 . . . . 73.04 111.066 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -137.29 161.26 36.72 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.8 0.84 . . . . 72.23 110.983 178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.1 p -119.21 110.61 17.22 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.787 0.835 . . . . 73.02 110.119 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -101.31 138.2 38.64 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.781 0.832 . . . . 72.1 110.913 -176.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.3 t -86.56 138.43 31.72 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 121.033 0.444 . . . . 62.14 111.567 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.502 HG13 HG21 ' A' ' 74' ' ' ILE . 89.1 t -76.48 127.31 37.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.353 0.661 . . . . 73.21 110.186 176.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 56.0 m -99.35 106.1 18.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.145 0.978 . . . . 74.42 109.488 -175.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.6 mm -90.33 113.68 58.34 Favored Pre-proline 0 CA--C 1.559 1.292 0 C-N-CA 123.434 0.694 . . . . 71.11 110.705 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.47 162.65 33.11 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.813 2.342 . . . . 63.02 112.695 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.59 119.33 14.59 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.761 0.824 . . . . 45.2 111.527 -175.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.15 12.21 63.74 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-N 116.122 -0.49 . . . . 33.51 113.716 -176.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -123.1 146.33 47.81 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.691 0.796 . . . . 63.32 110.847 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' HG2' ' HA3' ' A' ' 79' ' ' GLY . 49.1 mm-40 -119.07 149.33 41.86 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.909 0.884 . . . . 62.43 110.36 178.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -69.79 132.05 45.47 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.202 0.601 . . . . 74.43 111.746 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.9 t -107.09 -60.37 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.264 0.626 . . . . 73.25 111.386 177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.25 -175.37 35.84 Favored Glycine 0 N--CA 1.483 1.821 0 N-CA-C 113.82 0.288 . . . . 55.11 113.82 -173.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.4 m -148.75 138.35 21.96 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.911 0.885 . . . . 72.31 110.844 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -122.69 153.7 39.07 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.499 1.12 . . . . 74.42 111.089 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.51 -71.57 1.14 Allowed Glycine 0 N--CA 1.477 1.402 0 CA-C-N 116.636 -0.256 . . . . 32.52 113.268 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -91.2 -172.8 43.42 Favored Glycine 0 CA--C 1.535 1.313 0 N-CA-C 113.637 0.215 . . . . 40.21 113.637 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.09 150.49 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.252 0.621 . . . . 74.31 109.567 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.18 149.38 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.072 0.549 . . . . 74.23 111.547 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -72.02 159.72 33.72 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.837 0.855 . . . . 74.31 111.808 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.3 m -69.16 -24.09 64.03 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.347 0.659 . . . . 74.1 111.548 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -81.64 -19.85 40.87 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.441 0.696 . . . . 75.2 111.317 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.21 11.87 59.7 Favored Glycine 0 C--N 1.355 1.626 0 N-CA-C 115.018 0.767 . . . . 72.1 115.018 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -90.35 -17.16 27.8 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.614 0.766 . . . . 70.0 112.108 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 69.4 p -133.49 153.63 51.47 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.692 0.797 . . . . 73.32 110.332 172.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.8 m -130.69 122.67 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.215 0 C-N-CA 125.078 1.351 . . . . 64.4 109.501 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.0 m -86.09 105.93 16.86 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.321 0.581 . . . . 74.22 109.851 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.498 HG12 HG21 ' A' ' 72' ' ' VAL . 50.0 mt -107.89 110.46 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.43 1.092 . . . . 61.05 110.919 -171.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.1 m -90.66 129.25 36.79 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.782 -0.821 . . . . 73.2 108.782 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 56.1 m-85 -65.32 149.64 49.63 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.981 -0.377 . . . . 75.24 109.981 177.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -150.19 151.23 32.74 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.944 0.402 . . . . 33.51 112.055 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.88 -4.65 57.05 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 115.687 -0.688 . . . . 54.42 110.311 163.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -97.4 163.98 12.65 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 125.36 1.464 . . . . 71.52 110.644 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.62 -2.81 15.49 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 113.959 1.096 . . . . 75.31 113.959 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.2 m -71.38 1.81 5.77 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 113.096 0.776 . . . . 71.2 113.096 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.454 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 4.8 p-10 -76.61 -25.61 54.07 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.691 0.797 . . . . 75.14 111.284 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -70.97 101.42 2.18 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.746 0.819 . . . . 70.22 110.924 -174.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.498 HG21 HG12 ' A' ' 62' ' ' ILE . 97.9 t -101.33 117.46 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.594 -0.521 . . . . 62.45 109.594 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.65 107.16 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.396 0.678 . . . . 54.42 109.911 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.502 HG21 HG13 ' A' ' 37' ' ' VAL . 71.2 mt -92.53 117.26 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.12 0.568 . . . . 61.1 109.83 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -85.47 137.52 32.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.516 1.126 . . . . 74.42 111.567 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -139.35 141.89 37.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.042 1.337 . . . . 65.23 110.05 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -125.43 173.29 8.99 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.276 0.63 . . . . 73.4 110.034 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -82.65 122.68 28.44 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 122.754 0.422 . . . . 72.3 111.151 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.414 ' HA3' ' HG2' ' A' ' 44' ' ' GLU . . . -111.94 36.54 4.11 Favored Glycine 0 N--CA 1.473 1.121 0 N-CA-C 111.088 -0.805 . . . . 64.1 111.088 174.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.31 107.81 3.43 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.234 1.014 . . . . 73.24 111.23 -172.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -139.85 139.68 36.36 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.283 1.033 . . . . 71.35 108.578 172.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -63.25 151.43 40.56 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.048 0.539 . . . . 73.22 111.531 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -40.71 94.98 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 125.454 1.502 . . . . 75.03 113.654 -176.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -110.45 134.7 52.09 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.097 -0.956 . . . . 74.24 111.967 -167.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -124.4 98.17 5.63 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.611 0.764 . . . . 70.54 110.646 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -133.79 177.97 7.3 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.195 1.398 . . . . 71.31 109.419 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.4 t60 . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.299 0.571 . . . . 74.32 110.186 179.704 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.122 -0.325 . . . . 71.2 110.122 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -85.57 110.18 19.06 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.089 0.556 . . . . 73.42 109.753 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -97.53 139.61 33.19 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 110.145 -0.316 . . . . 75.24 110.145 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -102.32 167.36 10.03 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.486 0.55 . . . . 72.33 112.486 -174.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -139.39 146.87 40.72 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.371 1.069 . . . . 74.44 110.388 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 m -108.69 136.64 47.94 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.839 0.856 . . . . 50.54 110.864 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.3 mp -118.63 133.45 65.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 108.385 -0.968 . . . . 61.32 108.385 170.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.4 m -144.45 112.65 6.43 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.996 0.518 . . . . 60.5 110.739 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.442 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 41.0 m-85 -74.67 146.78 42.06 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.123 0.569 . . . . 75.54 110.346 173.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -145.39 144.69 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 C-N-CA 124.565 1.146 . . . . 72.51 109.555 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -90.92 113.45 25.67 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.808 0.443 . . . . 73.31 110.637 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -65.33 -23.39 66.99 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.71 0.404 . . . . 62.42 110.755 168.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.596 ' HB2' ' HG3' ' A' ' 77' ' ' LYS . 25.8 t70 -62.13 -34.74 76.95 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 124.891 1.276 . . . . 75.15 111.68 171.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.88 28.6 7.81 Favored 'General case' 0 CA--C 1.566 1.569 0 C-N-CA 123.68 0.792 . . . . 72.34 110.918 -173.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.37 27.59 72.5 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 115.294 0.878 . . . . 51.11 115.294 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.82 27.5 45.99 Favored Glycine 0 CA--C 1.54 1.599 0 N-CA-C 114.02 0.368 . . . . 73.34 114.02 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.99 133.53 36.18 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.344 0.658 . . . . 21.41 111.922 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -61.71 133.09 55.14 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 113.533 0.938 . . . . 74.11 113.533 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 76' ' ' LEU . 46.7 t -87.47 105.53 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.835 0.854 . . . . 74.52 109.629 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.19 -134.31 33.92 Favored Glycine 0 CA--C 1.542 1.747 0 N-CA-C 114.462 0.545 . . . . 53.15 114.462 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -96.53 -172.84 2.6 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.798 0.839 . . . . 74.43 112.461 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.4 mt -104.31 136.9 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 124.34 1.056 . . . . 74.43 110.25 173.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.516 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 44.2 t -96.24 148.47 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.288 0.635 . . . . 73.13 109.818 174.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.7 m -136.51 133.63 36.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.931 -0.481 . . . . 74.11 111.244 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.46 164.16 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.722 0.809 . . . . 73.04 110.059 173.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -134.27 149.16 50.9 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.918 0.487 . . . . 53.13 111.645 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.7 -121.23 0.64 Allowed Glycine 0 CA--C 1.533 1.17 0 CA-C-N 115.741 -0.663 . . . . 62.32 112.196 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HG3' ' H ' ' A' ' 30' ' ' ASP . 23.6 tptm -157.49 149.11 22.02 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 117.67 0.735 . . . . 51.41 111.616 -174.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.1 p -50.5 -41.99 54.13 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.397 1.079 . . . . 63.23 113.466 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.433 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 16.3 m-20 -64.5 -33.0 74.87 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.41 0.684 . . . . 71.4 112.323 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -103.94 149.92 24.67 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.625 0.726 . . . . 65.13 112.824 -169.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.7 p -106.97 152.91 23.34 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.223 1.009 . . . . 60.01 110.191 173.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 t -128.1 156.74 42.34 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.442 0.697 . . . . 71.44 111.015 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.2 p -110.7 115.51 29.7 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.244 0.618 . . . . 73.41 110.454 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -95.6 130.68 42.38 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.884 0.874 . . . . 73.43 109.931 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -83.59 115.96 22.37 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.363 0.529 . . . . 71.43 110.29 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.94 116.74 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 C-N-CA 123.237 0.615 . . . . 74.54 110.004 176.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -99.7 116.26 31.38 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.499 0.719 . . . . 55.41 109.722 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.1 mm -86.33 108.28 16.91 Favored Pre-proline 0 CA--C 1.563 1.461 0 C-N-CA 123.208 0.603 . . . . 74.11 110.367 -177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.19 161.59 44.12 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.955 2.436 . . . . 64.22 113.462 -176.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.98 118.63 11.42 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.53 0.732 . . . . 75.53 111.596 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.79 -7.38 67.77 Favored Glycine 0 C--N 1.35 1.341 0 CA-C-N 116.152 -0.476 . . . . 72.43 113.337 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -108.09 137.13 46.6 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.118 0.967 . . . . 75.01 109.681 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -117.05 134.37 54.84 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.686 0.794 . . . . 70.44 110.355 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.408 ' OH ' HG21 ' A' ' 53' ' ' VAL . 86.8 t80 -64.7 114.1 4.21 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.68 0.392 . . . . 73.21 110.987 177.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.5 t -97.38 -50.87 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.249 0.62 . . . . 71.31 110.784 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.19 -173.98 38.62 Favored Glycine 0 N--CA 1.472 1.061 0 CA-C-N 116.06 -0.518 . . . . 73.41 113.396 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.8 m -138.85 142.51 38.63 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.586 0.754 . . . . 72.44 110.626 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -123.07 150.97 42.46 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.892 1.277 . . . . 61.43 109.897 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.72 -76.22 2.13 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 113.622 0.209 . . . . 73.25 113.622 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' H ' HG13 ' A' ' 72' ' ' VAL . . . -86.8 178.18 48.43 Favored Glycine 0 N--CA 1.477 1.416 0 N-CA-C 113.924 0.33 . . . . 64.11 113.924 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 63.0 t -94.9 107.35 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.682 -0.488 . . . . 74.25 109.682 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.408 HG21 ' OH ' ' A' ' 45' ' ' TYR . 10.2 p -80.56 148.99 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 CA-C-O 121.117 0.484 . . . . 71.24 111.829 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.7 t -67.85 160.16 28.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.334 0.654 . . . . 75.21 111.109 171.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.7 p -56.47 -37.39 70.24 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.882 0.873 . . . . 74.24 113.01 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.64 -18.33 35.75 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.15 0.58 . . . . 72.4 112.514 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.23 16.73 80.44 Favored Glycine 0 CA--C 1.538 1.487 0 N-CA-C 114.065 0.386 . . . . 54.14 114.065 -170.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -79.61 -26.15 41.27 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 122.956 0.502 . . . . 45.43 111.36 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.1 p -141.75 162.9 34.34 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.645 1.178 . . . . 75.02 111.206 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 72' ' ' VAL . 69.5 t -132.36 127.08 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 124.236 1.014 . . . . 71.31 110.155 172.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.6 m -78.27 104.91 9.16 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.101 0.56 . . . . 74.41 109.769 170.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.518 HG12 HG21 ' A' ' 72' ' ' VAL . 36.1 mt -98.36 133.86 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.887 0.875 . . . . 74.43 109.19 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.1 m -121.91 131.05 53.82 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.429 -0.582 . . . . 60.34 109.429 173.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -73.44 116.22 13.75 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.694 0.798 . . . . 74.23 111.633 -168.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.673 ' HB3' ' HB3' ' A' ' 69' ' ' SER . . . -148.97 114.64 5.64 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.019 0.528 . . . . 71.32 110.484 177.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.62 3.64 2.33 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 114.157 1.169 . . . . 71.44 114.157 -176.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.36 45.17 1.22 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.716 0.807 . . . . 74.41 111.08 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 57.33 25.18 10.9 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.556 1.542 . . . . 74.43 113.303 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.673 ' HB3' ' HB3' ' A' ' 65' ' ' ALA . 44.6 t -101.21 -9.61 21.12 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.258 0.623 . . . . 73.55 111.374 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.4 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 9.2 p-10 -76.51 -26.36 55.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.035 0.934 . . . . 73.31 112.251 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -84.96 126.51 33.58 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 121.442 0.639 . . . . 74.14 111.746 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 60' ' ' VAL . 59.6 t -118.18 120.81 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.882 1.273 . . . . 64.45 109.734 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.92 107.84 23.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.096 0 C-N-CA 123.125 0.57 . . . . 52.11 110.838 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.9 mm -84.53 142.36 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 109.564 -0.532 . . . . 75.23 109.564 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -111.67 132.49 54.56 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.14 0.576 . . . . 51.2 111.58 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.526 HD12 HG21 ' A' ' 19' ' ' VAL . 98.5 mt -133.05 168.27 18.79 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.932 1.293 . . . . 65.15 110.75 -176.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.596 ' HG3' ' HB2' ' A' ' 13' ' ' ASP . 79.7 tttt -146.17 143.8 29.52 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 120.9 0.381 . . . . 65.03 111.802 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -84.95 124.3 31.51 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.933 0.493 . . . . 55.04 110.411 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.46 135.75 5.77 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 114.072 0.389 . . . . 61.1 114.072 -177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.49 113.7 0.88 Allowed 'General case' 0 CA--C 1.565 1.531 0 C-N-CA 123.846 0.858 . . . . 73.11 112.337 171.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -54.55 -40.44 68.71 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.31 1.044 . . . . 62.4 112.929 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -62.95 -33.99 76.55 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 122.973 0.509 . . . . 75.13 112.106 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -68.28 -47.32 67.97 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 122.676 0.39 . . . . 72.03 110.885 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.1 t60 58.53 26.15 13.98 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.45 1.1 . . . . 72.42 112.761 169.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -71.38 124.46 24.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.199 0.6 . . . . 74.34 112.113 -173.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -77.34 92.78 3.95 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.175 0.59 . . . . 64.02 111.178 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 123.348 0.659 . . . . 65.23 110.56 173.803 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mmt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.424 -0.584 . . . . 72.13 109.424 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.77 85.69 0.28 Allowed 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 125.694 1.598 . . . . 71.01 108.035 -177.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -91.41 158.29 16.6 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.226 1.01 . . . . 61.11 112.547 -163.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -97.54 162.29 13.37 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.488 0.661 . . . . 63.44 112.493 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -141.82 117.94 10.67 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 114.63 -1.168 . . . . 74.33 108.171 168.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.9 m -104.52 125.03 50.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.467 0.707 . . . . 70.22 111.698 -169.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.67 126.97 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 123.654 0.782 . . . . 71.11 108.924 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.6 m -131.53 112.09 12.34 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.75 0.309 . . . . 74.44 111.421 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -80.06 128.23 33.25 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.999 0.519 . . . . 73.34 109.701 170.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.96 154.63 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 124.395 1.078 . . . . 63.24 109.554 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -106.29 122.86 47.09 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 121.591 0.71 . . . . 71.21 112.05 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.24 -38.39 26.49 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 126.066 1.746 . . . . 44.33 113.332 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.91 -33.45 75.74 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 123.759 0.824 . . . . 54.42 112.965 -171.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.578 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -113.11 30.69 6.99 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.671 0.788 . . . . 73.33 110.852 -176.173 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.49 28.32 72.52 Favored Glycine 0 CA--C 1.534 1.258 0 N-CA-C 114.977 0.751 . . . . 52.31 114.977 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.49 55.22 2.5 Favored Glycine 0 CA--C 1.534 1.235 0 N-CA-C 114.066 0.386 . . . . 55.44 114.066 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.73 140.0 31.96 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.151 0.475 . . . . 73.31 110.838 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.571 HE21 ' HA ' ' A' ' 21' ' ' ASP . 44.3 tt0 -61.45 125.17 22.82 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.981 0.913 . . . . 74.53 113.127 -173.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.6 t -98.7 110.27 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.386 1.074 . . . . 75.53 109.26 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.28 -110.16 3.05 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 112.091 -0.404 . . . . 65.43 112.091 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.571 ' HA ' HE21 ' A' ' 18' ' ' GLN . 3.5 p30 -149.61 178.65 8.65 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 121.398 0.618 . . . . 74.14 112.06 175.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.4 mt -92.94 128.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 C-N-CA 123.709 0.804 . . . . 74.42 110.862 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.4 t -100.71 101.85 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.617 0.767 . . . . 63.31 109.478 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -108.25 117.79 35.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 122.01 -0.432 . . . . 61.53 110.262 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.62 156.74 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.482 0.713 . . . . 72.1 111.348 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.2 p -111.65 151.1 29.23 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 122.979 0.512 . . . . 65.21 111.957 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.14 -137.45 2.45 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-N 115.836 -0.62 . . . . 74.35 112.619 -175.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -134.28 149.39 50.92 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.445 0.698 . . . . 74.51 110.497 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.0 p -48.07 -46.41 33.62 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.792 0.837 . . . . 73.42 113.235 172.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.08 -25.64 55.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.465 0.706 . . . . 73.33 112.088 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.89 152.35 21.29 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.587 0.708 . . . . 75.31 112.275 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -138.26 167.5 21.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.288 1.035 . . . . 61.12 110.276 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -148.97 161.08 42.63 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.463 0.705 . . . . 72.2 111.236 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.0 p -111.95 116.01 29.9 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.098 0.559 . . . . 63.3 109.919 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -99.43 123.17 43.47 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.322 1.049 . . . . 74.2 110.106 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 t -73.42 126.78 30.95 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.006 0.431 . . . . 62.52 110.834 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.62 127.52 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.366 0.666 . . . . 75.22 109.742 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.9 m -110.7 107.65 17.28 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.129 0.972 . . . . 34.11 110.235 -172.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.4 mm -90.74 111.57 48.58 Favored Pre-proline 0 CA--C 1.562 1.44 0 C-N-CA 123.606 0.762 . . . . 74.01 110.474 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.48 162.54 39.81 Favored 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 123.224 2.616 . . . . 41.34 113.491 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.06 128.67 36.72 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.489 0.716 . . . . 74.13 111.511 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.63 6.56 83.03 Favored Glycine 0 CA--C 1.536 1.385 0 CA-C-N 116.116 -0.493 . . . . 24.33 113.759 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 76' ' ' LEU . 82.1 m-85 -119.91 141.66 49.41 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.752 0.821 . . . . 74.3 110.415 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -120.76 123.19 42.05 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.255 1.022 . . . . 72.12 109.669 -173.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.443 ' HA ' HD23 ' A' ' 76' ' ' LEU . 70.5 t80 -58.81 129.23 41.13 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.903 0.705 . . . . 75.42 112.903 -176.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.91 -65.71 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 124.064 0.945 . . . . 75.44 110.167 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.72 167.69 40.03 Favored Glycine 0 C--N 1.343 0.952 0 CA-C-N 115.506 -0.77 . . . . 32.25 112.817 -172.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.4 m -118.97 135.37 54.64 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.348 1.059 . . . . 75.53 109.884 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.78 150.68 35.03 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.819 0.848 . . . . 63.21 110.397 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.07 -69.65 1.35 Allowed Glycine 0 CA--C 1.532 1.127 0 CA-C-N 116.356 -0.384 . . . . 72.14 113.424 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' N ' HG22 ' A' ' 72' ' ' VAL . . . -90.68 -173.78 44.31 Favored Glycine 0 N--CA 1.476 1.365 0 N-CA-C 113.867 0.307 . . . . 65.11 113.867 -177.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -102.28 112.25 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 C-N-CA 123.176 0.59 . . . . 75.13 109.531 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.403 HG21 ' OH ' ' A' ' 45' ' ' TYR . 9.9 p -84.51 154.67 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-O 121.395 0.616 . . . . 62.03 111.608 -175.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.7 t -63.27 160.07 16.54 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.862 1.265 . . . . 63.32 112.167 172.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.4 m -67.57 -33.9 75.96 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.392 0.677 . . . . 74.43 111.251 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.59 -13.26 43.3 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.698 0.799 . . . . 73.45 111.789 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.93 23.64 77.48 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-N 116.542 -0.299 . . . . 64.2 113.214 -172.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -79.4 -25.1 42.17 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.237 0.615 . . . . 71.23 112.18 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.0 t -151.49 172.34 16.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.696 0.798 . . . . 65.23 110.919 -175.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.407 HG21 HG11 ' A' ' 72' ' ' VAL . 3.7 p -147.13 127.88 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.253 0 C-N-CA 124.161 0.985 . . . . 73.2 110.525 177.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -79.79 107.92 12.95 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.134 0.573 . . . . 70.42 109.869 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.575 HG12 HG21 ' A' ' 72' ' ' VAL . 30.0 mt -112.8 133.44 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.378 1.071 . . . . 62.42 110.677 -177.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.4 m -113.82 143.51 44.54 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.188 0.595 . . . . 25.14 110.328 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -78.63 139.91 38.49 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.562 0.745 . . . . 74.25 110.804 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.05 140.2 32.52 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.099 0.407 . . . . 72.25 112.099 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.79 -17.85 58.78 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.164 0.586 . . . . 64.24 110.895 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -93.08 179.61 5.38 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.893 0.877 . . . . 63.43 109.628 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -83.85 28.76 0.57 Allowed 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 123.425 0.69 . . . . 73.13 111.891 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -90.03 -3.38 58.0 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 124.333 1.053 . . . . 63.24 111.937 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.492 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 9.8 p-10 -81.33 -40.57 23.37 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.418 1.087 . . . . 64.22 113.536 -175.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -66.44 121.4 15.22 Favored 'General case' 0 CA--C 1.557 1.214 0 N-CA-C 113.848 1.055 . . . . 75.53 113.848 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.575 HG21 HG12 ' A' ' 62' ' ' ILE . 76.0 t -110.05 125.01 67.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 125.428 1.491 . . . . 63.31 110.175 175.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.92 120.24 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.344 0.658 . . . . 71.23 111.072 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.0 mm -92.74 137.47 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 124.043 0.937 . . . . 71.51 109.45 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -116.0 139.54 50.16 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 123.459 0.704 . . . . 72.51 111.168 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.445 ' HB3' ' HB3' ' A' ' 43' ' ' TYR . 40.7 mt -139.16 139.07 37.48 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 123.936 0.894 . . . . 63.44 111.897 -175.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -93.36 159.32 15.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.721 -1.237 . . . . 71.22 110.047 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -84.12 149.98 25.84 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 122.057 -0.402 . . . . 64.4 110.932 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.87 96.9 1.92 Allowed Glycine 0 CA--C 1.532 1.105 0 CA-C-N 116.028 -0.533 . . . . 71.41 112.066 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mp -75.43 -65.42 0.89 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.151 0.581 . . . . 72.13 110.617 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 50.26 85.17 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 124.632 1.173 . . . . 64.24 112.211 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 72.82 -40.76 0.48 Allowed 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 125.133 1.373 . . . . 75.01 112.988 -173.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -62.29 137.71 58.3 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.58 0.752 . . . . 74.24 112.631 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -106.37 143.29 34.7 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.763 0.825 . . . . 73.22 111.198 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -136.67 165.49 25.78 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.93 0.892 . . . . 72.42 111.287 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 67.74 16.77 9.79 Favored 'General case' 0 CA--C 1.571 1.763 0 C-N-CA 124.936 1.295 . . . . 53.53 112.319 175.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.2 t60 . . . . . 0 N--CA 1.487 1.401 0 C-N-CA 123.635 0.774 . . . . 74.25 110.01 179.464 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.589 0.233 . . . . 65.45 110.572 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -168.46 97.92 0.41 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.902 1.281 . . . . 74.13 108.468 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -92.25 140.56 29.49 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.911 -0.493 . . . . 64.42 110.629 -168.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -117.38 155.06 30.25 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.217 0.607 . . . . 62.5 111.665 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.87 133.11 39.34 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.966 0.907 . . . . 65.44 109.611 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.5 p -112.54 136.14 52.42 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.175 0.59 . . . . 61.34 111.487 -169.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.04 115.2 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 123.614 0.766 . . . . 71.02 109.413 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.3 m -112.94 112.88 24.67 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.322 0.649 . . . . 72.13 110.806 -176.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -78.88 136.59 37.34 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.274 0.63 . . . . 72.54 109.951 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.0 145.29 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 C-N-CA 123.712 0.805 . . . . 72.54 111.103 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -106.65 127.12 53.09 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.445 0.698 . . . . 74.55 111.492 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.66 -38.39 89.21 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.566 1.147 . . . . 62.22 112.002 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -78.76 0.71 25.78 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.402 0.681 . . . . 74.21 112.582 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.88 18.29 14.04 Favored 'General case' 0 CA--C 1.561 1.391 0 C-N-CA 123.303 0.641 . . . . 73.15 109.953 172.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.87 37.55 60.84 Favored Glycine 0 C--N 1.354 1.554 0 N-CA-C 114.214 0.446 . . . . 44.35 114.214 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.09 32.26 69.32 Favored Glycine 0 CA--C 1.54 1.633 0 N-CA-C 113.67 0.228 . . . . 71.0 113.67 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.65 147.39 27.72 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.184 0.594 . . . . 64.52 111.974 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.488 HE21 ' HA ' ' A' ' 21' ' ' ASP . 49.7 tt0 -61.28 125.05 22.37 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 123.462 0.705 . . . . 55.22 112.683 -175.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.2 t -92.12 110.35 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.994 0.918 . . . . 75.02 109.357 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.72 -104.01 1.46 Allowed Glycine 0 CA--C 1.535 1.329 0 CA-C-N 116.247 -0.433 . . . . 62.11 113.334 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.488 ' HA ' HE21 ' A' ' 18' ' ' GLN . 38.9 t70 -149.98 155.72 40.45 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 123.161 0.584 . . . . 63.41 111.383 -172.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.32 139.86 17.42 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 C-N-CA 124.077 0.951 . . . . 74.12 111.044 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.74 102.8 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.194 0.998 . . . . 75.33 110.276 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.9 m -94.85 137.99 33.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.87 -0.519 . . . . 55.2 110.95 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -124.09 139.89 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.907 0.883 . . . . 64.22 110.097 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -121.19 136.12 55.03 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 123.006 0.522 . . . . 73.53 111.608 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.31 -133.5 1.63 Allowed Glycine 0 CA--C 1.536 1.378 0 CA-C-N 115.559 -0.746 . . . . 60.24 111.882 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -135.87 151.52 50.1 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 117.842 0.821 . . . . 73.14 111.155 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.3 m -57.91 -29.82 65.4 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.029 0.932 . . . . 71.31 113.124 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -61.62 -33.12 73.38 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.748 0.819 . . . . 60.13 112.771 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -115.19 153.47 30.77 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.522 0.729 . . . . 75.34 111.889 -177.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 p -115.88 148.65 39.75 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.803 0.841 . . . . 63.12 111.178 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -116.03 138.42 51.24 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.182 0.993 . . . . 62.51 110.513 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -102.42 109.1 20.64 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.84 -0.538 . . . . 73.11 109.725 176.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -91.36 133.18 35.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.838 0.855 . . . . 73.32 110.837 -175.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -83.67 124.02 30.41 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.167 0.587 . . . . 72.55 110.871 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.0 t -76.53 126.91 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 123.407 0.683 . . . . 62.25 110.552 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 m -113.52 106.03 14.07 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.133 0.973 . . . . 70.04 109.976 -172.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.5 mm -91.64 111.33 48.79 Favored Pre-proline 0 CA--C 1.563 1.466 0 C-N-CA 122.959 0.504 . . . . 61.22 110.887 -175.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.66 163.67 36.76 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.812 2.341 . . . . 63.43 114.098 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.77 131.47 48.97 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.072 0.949 . . . . 71.5 112.352 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.515 ' HA2' ' HB3' ' A' ' 80' ' ' LEU . . . 96.04 -21.36 45.52 Favored Glycine 0 C--N 1.349 1.285 0 CA-C-N 116.195 -0.457 . . . . 41.22 112.9 -177.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -108.97 164.15 12.66 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.691 0.796 . . . . 72.31 111.037 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' HB2' ' HA3' ' A' ' 79' ' ' GLY . 3.9 tm-20 -149.92 141.88 23.86 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.939 0.896 . . . . 62.4 109.196 -172.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -71.28 130.24 40.9 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 113.254 0.835 . . . . 74.34 113.254 -172.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.48 -62.72 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 123.423 0.689 . . . . 74.51 110.603 172.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.32 -173.97 37.38 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 116.03 -0.532 . . . . 74.33 113.176 -171.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.626 HG23 HG13 ' A' ' 72' ' ' VAL . 12.8 m -134.16 138.81 45.43 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.96 0.904 . . . . 72.21 110.76 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.487 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 32.1 t70 -123.07 102.98 8.29 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.522 0.729 . . . . 75.34 110.02 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.71 147.7 12.65 Favored Glycine 0 N--CA 1.48 1.608 0 CA-C-O 119.899 -0.39 . . . . 52.21 112.272 -172.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.47 -163.98 52.85 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 117.368 0.584 . . . . 72.54 113.964 -176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.24 107.74 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 123.551 0.74 . . . . 63.31 109.595 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.502 HG23 HG22 ' A' ' 60' ' ' VAL . 12.3 p -87.63 151.65 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.281 0 CA-C-O 121.229 0.538 . . . . 62.22 112.131 -176.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 t -69.74 150.47 46.9 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.904 0.882 . . . . 72.02 110.614 169.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.9 m -61.15 -29.48 69.81 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.327 0.651 . . . . 75.14 111.983 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.452 ' HB2' ' HG2' ' A' ' 58' ' ' LYS . 4.2 m-20 -82.47 -18.39 41.89 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.929 0.892 . . . . 71.03 111.873 178.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.13 22.55 78.5 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 113.736 0.254 . . . . 75.15 113.736 -173.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' HG2' ' HB2' ' A' ' 56' ' ' ASP . 11.3 ptmm? -82.62 -34.97 27.4 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.879 0.872 . . . . 70.41 112.29 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 p -145.34 148.33 33.28 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.446 1.098 . . . . 73.0 110.634 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.502 HG22 HG23 ' A' ' 53' ' ' VAL . 47.1 t -124.27 123.15 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.601 0.76 . . . . 74.34 109.642 174.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.7 m -71.64 110.41 6.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.229 0.612 . . . . 73.21 110.062 169.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.94 146.26 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.437 1.095 . . . . 73.33 109.465 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.6 m -122.13 144.16 49.11 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 109.021 -0.733 . . . . 74.24 109.021 172.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -68.54 113.33 5.98 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 120.946 0.403 . . . . 75.34 110.973 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -133.56 141.33 47.66 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.395 0.678 . . . . 41.14 111.166 -171.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.18 17.94 1.52 Allowed 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 112.765 0.654 . . . . 55.54 112.765 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -149.97 -173.14 4.34 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.101 0.96 . . . . 71.25 111.111 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -83.03 -0.08 47.24 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 114.56 1.319 . . . . 64.45 114.56 -171.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -55.16 -37.84 67.52 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 112.737 0.643 . . . . 75.22 112.737 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -118.58 5.79 11.66 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.773 0.829 . . . . 72.24 112.066 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -75.63 102.81 5.48 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.666 -0.865 . . . . 72.53 108.666 167.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.626 HG13 HG23 ' A' ' 48' ' ' THR . 74.9 t -87.86 119.73 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 123.969 0.908 . . . . 52.0 111.147 -167.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 55.6 t -101.92 106.37 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 108.994 -0.743 . . . . 73.11 108.994 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 mm -84.21 111.3 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.716 -0.846 . . . . 55.23 108.716 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -85.1 131.71 34.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.817 0.447 . . . . 73.51 110.01 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.7 mt -126.06 167.83 14.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.546 1.138 . . . . 63.01 109.838 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -151.54 167.22 28.73 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.201 1.0 . . . . 70.25 108.87 171.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -72.39 115.58 11.81 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 121.116 0.484 . . . . 72.25 111.129 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.43 ' HA3' ' HB2' ' A' ' 44' ' ' GLU . . . -116.06 12.08 17.27 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 115.518 -0.765 . . . . 65.04 111.561 177.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.515 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . 59.2 tp -157.97 134.07 9.35 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.334 1.453 . . . . 62.42 108.564 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -72.12 157.75 37.2 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 122.95 0.5 . . . . 72.25 110.285 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -64.15 85.15 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.619 0.768 . . . . 74.42 112.182 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -121.61 114.57 21.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.785 1.234 . . . . 63.04 108.576 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -155.12 128.27 8.27 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 122.789 0.436 . . . . 64.22 112.042 -170.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -96.37 -43.65 7.57 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.018 0.927 . . . . 71.53 110.124 174.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -116.23 154.77 29.51 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.016 0.926 . . . . 74.43 110.521 176.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.5 t60 . . . . . 0 N--CA 1.487 1.414 0 C-N-CA 123.349 0.66 . . . . 72.33 110.794 178.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptm . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.066 0.46 . . . . 74.51 111.674 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.59 113.4 6.84 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 109.751 -0.463 . . . . 73.23 109.751 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -97.53 152.99 18.45 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.249 0.547 . . . . 63.42 111.844 -173.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.456 ' HB3' HG22 ' A' ' 26' ' ' THR . 0.6 OUTLIER -115.2 165.08 13.32 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.709 0.803 . . . . 73.22 112.04 -178.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.21 131.56 20.86 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.642 1.177 . . . . 75.55 109.794 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 p -101.88 146.83 27.29 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.15 0.58 . . . . 74.42 111.449 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.8 mp -116.33 118.13 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 108.699 -0.852 . . . . 53.3 108.699 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -110.09 108.53 18.75 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.102 0.961 . . . . 71.21 110.771 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.69 131.48 37.73 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.817 0.447 . . . . 62.32 110.196 171.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -131.08 157.93 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.852 0.861 . . . . 71.33 110.937 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -116.91 98.49 6.52 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.88 0.872 . . . . 70.22 109.421 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.15 -20.99 63.34 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.355 1.462 . . . . 71.33 113.195 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.35 -29.06 69.66 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 123.791 0.836 . . . . 53.02 110.943 173.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -119.37 30.72 6.96 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.094 0.958 . . . . 73.13 110.816 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.43 40.67 91.35 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.854 -0.612 . . . . 62.5 114.503 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.42 46.01 7.12 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 114.346 0.498 . . . . 74.44 114.346 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.57 125.36 29.09 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.302 0.641 . . . . 54.01 111.2 176.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.16 124.79 21.35 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.287 0.565 . . . . 75.11 112.183 -173.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 36.4 t -100.54 112.96 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 123.657 0.783 . . . . 51.31 110.052 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.72 -110.36 3.05 Favored Glycine 0 CA--C 1.54 1.644 0 N-CA-C 114.111 0.405 . . . . 40.02 114.111 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -143.54 157.93 44.05 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.368 0.667 . . . . 74.1 111.611 -171.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.3 mm -85.25 135.21 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.744 0.817 . . . . 71.14 110.63 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 35.3 t -104.31 105.03 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.142 0.577 . . . . 41.24 110.957 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 m -92.0 127.08 37.34 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 122.069 -0.394 . . . . 65.53 110.331 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.3 m -123.16 144.96 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.045 0.938 . . . . 72.5 109.987 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 4' ' ' ASP . 22.3 p -112.05 151.36 29.45 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 123.099 0.56 . . . . 71.12 112.297 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.88 -134.08 2.34 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-N 115.796 -0.638 . . . . 50.03 113.62 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -133.28 138.93 46.64 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 122.22 -0.577 . . . . 54.21 111.273 -166.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 m -43.37 -51.33 6.48 Favored 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 125.224 1.409 . . . . 74.54 113.673 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -76.32 -32.52 58.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.278 0.631 . . . . 74.12 112.487 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -83.86 146.28 28.17 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.759 0.651 . . . . 72.01 112.759 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 p -107.2 138.01 44.2 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.515 -0.766 . . . . 65.15 109.75 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 61' ' ' THR . 14.3 t -97.72 161.48 13.74 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 123.84 0.856 . . . . 73.11 111.108 175.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.606 HG22 HG22 ' A' ' 61' ' ' THR . 58.6 p -111.6 111.78 23.02 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 121.2 0.524 . . . . 35.45 110.07 174.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -109.83 126.35 53.72 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.662 0.785 . . . . 74.44 109.074 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 t -80.25 135.53 36.27 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.849 0.357 . . . . 74.53 110.892 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.6 t -75.26 126.52 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 C-N-CA 123.586 0.754 . . . . 74.03 110.133 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.7 m -105.24 105.47 15.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.868 0.867 . . . . 65.22 108.917 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.3 mm -86.71 113.7 54.32 Favored Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 123.391 0.676 . . . . 64.23 110.558 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -75.96 156.09 38.72 Favored 'Trans proline' 0 C--N 1.372 1.788 0 C-N-CA 122.355 2.036 . . . . 50.4 112.602 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.8 136.29 56.73 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.425 0.69 . . . . 63.2 111.297 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.84 -25.53 23.1 Favored Glycine 0 N--CA 1.478 1.473 0 CA-C-N 116.462 -0.335 . . . . 61.42 113.472 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -100.05 144.66 28.83 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.667 0.787 . . . . 70.25 110.051 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.3 133.07 52.76 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.74 0.816 . . . . 75.03 109.542 -173.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -67.64 116.79 8.75 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.29 1.036 . . . . 70.13 112.626 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.705 HG22 ' HD2' ' A' ' 77' ' ' LYS . 48.7 t -81.55 -55.38 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-O 121.628 0.728 . . . . 75.13 109.461 173.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.59 -170.55 42.31 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 114.782 -1.099 . . . . 72.43 112.436 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.5 m -126.3 134.02 51.24 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.64 0.776 . . . . 72.4 110.739 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -121.34 121.1 36.91 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.962 0.905 . . . . 62.53 109.242 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.39 148.99 23.8 Favored Glycine 0 N--CA 1.479 1.539 0 N-CA-C 112.223 -0.351 . . . . 64.12 112.223 -172.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.31 -155.72 46.24 Favored Glycine 0 CA--C 1.535 1.327 0 CA-C-N 117.066 0.433 . . . . 65.23 113.218 -174.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.5 t -125.63 108.79 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 108.752 -0.833 . . . . 74.41 108.752 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -75.11 144.49 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 O-C-N 122.136 -0.352 . . . . 54.13 110.415 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.5 t -58.28 155.27 11.86 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.857 0.863 . . . . 62.25 112.212 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.5 p -64.39 -24.73 67.74 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.19 0.596 . . . . 71.51 111.643 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.36 -19.43 42.75 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.778 0.831 . . . . 73.14 111.771 175.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.34 3.07 56.49 Favored Glycine 0 CA--C 1.542 1.732 0 CA-C-N 116.431 -0.349 . . . . 71.43 113.846 -172.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -79.2 -37.36 38.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.618 0.767 . . . . 74.04 111.894 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.5 p -121.42 162.77 19.85 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.48 0.712 . . . . 64.43 110.597 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.511 HG11 HG11 ' A' ' 72' ' ' VAL . 68.0 t -128.96 132.36 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.142 0.977 . . . . 54.35 108.944 171.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.606 HG22 HG22 ' A' ' 34' ' ' THR . 69.9 p -93.27 106.47 18.43 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 122.683 0.393 . . . . 70.33 110.069 172.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 mp -99.8 129.1 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.999 0.52 . . . . 72.54 109.998 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.4 m -99.79 138.9 36.23 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 109.687 -0.486 . . . . 75.02 109.687 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -82.03 137.35 35.1 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.49 0.716 . . . . 71.41 112.453 -168.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.47 147.62 41.59 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.66 0.784 . . . . 62.15 111.135 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.04 -23.23 60.56 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.429 0.692 . . . . 63.44 111.632 173.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -85.27 172.43 11.14 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.944 0.898 . . . . 75.54 111.338 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.88 26.05 0.53 Allowed 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 124.029 0.932 . . . . 72.24 111.958 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.0 m -93.21 -9.1 40.43 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.073 0.949 . . . . 63.21 111.232 168.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -62.16 -38.79 90.35 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.77 1.228 . . . . 64.33 112.56 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -75.9 130.04 37.89 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 114.898 -1.046 . . . . 73.52 113.661 -166.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.511 HG11 HG11 ' A' ' 60' ' ' VAL . 73.1 t -100.94 128.75 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 114.83 -1.077 . . . . 71.14 110.083 177.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.7 t -94.99 107.63 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.684 0.794 . . . . 73.42 109.614 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.0 mm -86.75 115.66 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.967 -0.753 . . . . 71.23 108.967 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -89.84 132.28 35.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.449 0.7 . . . . 61.13 111.755 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.6 mt -130.93 166.22 21.42 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.868 1.267 . . . . 42.5 109.621 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.705 ' HD2' HG22 ' A' ' 46' ' ' VAL . 13.6 ptmm? -157.63 150.78 23.38 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.898 0.479 . . . . 64.22 109.845 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -72.96 120.95 19.29 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 122.049 -0.407 . . . . 75.43 110.406 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -168.85 141.7 6.91 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 119.411 -0.66 . . . . 75.1 112.589 -174.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.6 tp 60.76 43.86 11.72 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 122.426 1.108 . . . . 61.23 108.991 -171.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.89 144.98 34.4 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 114.707 -1.133 . . . . 61.12 111.553 -169.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -91.31 153.93 19.59 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.149 0.98 . . . . 63.33 112.047 -165.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -75.74 133.52 40.71 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.791 -0.448 . . . . 55.14 109.791 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 62.63 35.69 14.08 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 124.58 1.152 . . . . 52.52 110.564 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -71.4 132.16 44.4 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 115.467 -0.788 . . . . 73.55 112.562 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.4 m170 29.36 89.84 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 126.663 1.985 . . . . 63.13 115.019 167.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 . . . . . 0 N--CA 1.485 1.284 0 C-N-CA 123.298 0.639 . . . . 74.34 112.121 -178.595 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 112.588 0.588 . . . . 73.4 112.588 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.03 117.26 33.14 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 123.977 0.911 . . . . 74.11 110.816 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -91.89 163.68 13.94 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.938 0.895 . . . . 63.41 111.214 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -121.97 141.92 50.84 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.473 0.709 . . . . 74.25 111.255 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.45 138.05 51.21 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.384 1.074 . . . . 73.13 110.766 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -115.11 129.12 56.6 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.438 0.695 . . . . 65.4 111.685 -174.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.426 HD12 ' HB ' ' A' ' 72' ' ' VAL . 25.4 mm -94.0 113.04 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 N-CA-C 108.568 -0.901 . . . . 74.51 108.568 172.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.5 m -110.41 102.08 10.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.22 1.008 . . . . 54.2 110.247 -171.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -77.28 120.24 22.04 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.494 -0.558 . . . . 73.03 109.494 172.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.479 ' HB ' ' HA2' ' A' ' 16' ' ' GLY . 27.4 m -119.45 144.28 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.191 0.597 . . . . 64.24 110.807 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.47 90.1 5.06 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.615 -0.883 . . . . 72.0 108.615 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.15 -31.24 67.03 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.978 1.311 . . . . 71.23 111.744 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 77' ' ' LYS . 13.8 t70 -64.56 -22.4 66.96 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.907 0.883 . . . . 72.42 111.319 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -113.86 23.08 13.36 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.228 1.011 . . . . 74.21 110.735 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.58 26.16 70.71 Favored Glycine 0 N--CA 1.482 1.761 0 N-CA-C 115.193 0.837 . . . . 72.44 115.193 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.479 ' HA2' ' HB ' ' A' ' 10' ' ' VAL . . . 94.74 101.38 1.75 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 122.799 0.238 . . . . 52.43 113.35 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.41 132.99 19.8 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.778 0.831 . . . . 74.04 109.896 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -63.22 117.27 6.33 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.57 0.7 . . . . 74.41 112.399 -173.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.3 t -124.27 144.84 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 125.108 1.363 . . . . 74.12 109.586 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.56 -113.37 4.8 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 114.466 0.547 . . . . 60.34 114.466 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -121.78 146.32 47.18 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 113.173 0.805 . . . . 73.15 113.173 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mt -96.76 111.61 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 108.149 -1.056 . . . . 73.31 108.149 162.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -100.39 102.26 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-O 120.782 0.325 . . . . 74.43 110.559 -174.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -96.63 112.27 24.08 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.087 0.555 . . . . 72.54 110.666 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.34 152.79 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.416 0.686 . . . . 41.42 110.13 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -123.61 147.2 47.57 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 122.812 0.445 . . . . 73.24 111.878 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.16 171.23 36.91 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 116.084 -0.507 . . . . 32.13 112.309 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -92.67 160.81 14.82 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 117.496 0.648 . . . . 63.13 109.743 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.6 t -55.0 -28.14 49.61 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 114.916 1.45 . . . . 74.25 114.916 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.43 -28.08 61.79 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.682 0.793 . . . . 52.21 111.551 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -90.28 132.18 35.68 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.725 0.81 . . . . 51.44 111.426 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.7 p -119.37 139.83 51.36 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.7 0.8 . . . . 73.41 109.582 172.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -126.52 162.32 25.91 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.27 1.028 . . . . 74.3 110.179 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -125.65 113.95 18.05 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.116 0.484 . . . . 74.41 110.995 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -92.13 136.02 33.52 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.25 1.02 . . . . 72.15 110.288 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.2 m -89.83 118.81 29.69 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.539 0.335 . . . . 70.0 110.141 174.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.5 t -75.3 126.21 35.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 123.95 0.9 . . . . 40.11 110.954 -175.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.2 m -113.04 102.79 10.74 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.549 1.14 . . . . 73.34 109.848 -173.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.66 HD12 HD21 ' A' ' 76' ' ' LEU . 23.4 mm -88.96 118.52 69.32 Favored Pre-proline 0 N--CA 1.484 1.254 0 C-N-CA 122.928 0.491 . . . . 72.33 110.578 -178.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -62.46 135.93 56.21 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.603 2.202 . . . . 70.44 112.29 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -64.96 136.47 56.85 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 122.945 0.498 . . . . 70.12 111.039 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.16 -20.66 39.88 Favored Glycine 0 N--CA 1.478 1.444 0 CA-C-N 116.135 -0.484 . . . . 75.22 112.385 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -107.04 146.47 31.12 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.253 1.021 . . . . 74.41 109.547 175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -111.0 137.48 48.58 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.041 0.448 . . . . 73.4 110.492 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -66.71 107.99 2.33 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.039 0.936 . . . . 75.12 111.195 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.6 t -81.21 -42.66 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-O 121.363 0.601 . . . . 72.52 109.429 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.05 -177.06 38.4 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.163 -0.926 . . . . 64.42 113.344 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.1 m -111.8 141.85 44.91 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.322 1.049 . . . . 54.34 110.437 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -125.96 119.24 27.2 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.854 0.861 . . . . 64.52 109.259 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.53 154.56 31.13 Favored Glycine 0 N--CA 1.482 1.732 0 CA-C-N 117.758 0.254 . . . . 21.15 113.08 -175.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.65 -152.36 49.1 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 117.027 0.413 . . . . 63.21 113.406 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.454 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 91.0 t -128.93 105.74 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 123.3 0.64 . . . . 74.11 109.824 175.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.0 137.35 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 CA-C-O 121.242 0.544 . . . . 54.35 111.264 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.3 t -78.64 169.74 17.77 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.681 0.792 . . . . 73.21 111.583 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.0 p -57.14 -45.46 83.51 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 124.233 1.013 . . . . 64.42 113.671 -171.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -89.28 -3.23 58.6 Favored 'General case' 0 CA--C 1.565 1.519 0 C-N-CA 123.051 0.54 . . . . 65.14 111.357 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.82 8.72 78.12 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 115.317 0.887 . . . . 71.13 115.317 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -76.97 -27.19 54.67 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.497 0.719 . . . . 61.34 112.813 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.6 p -135.89 141.86 44.62 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.493 0.717 . . . . 71.13 111.721 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 80.7 t -126.78 126.91 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.024 0.93 . . . . 74.32 110.066 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.454 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 68.6 m -75.12 125.67 29.43 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.429 0.691 . . . . 72.43 111.026 174.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.6 mt -101.07 114.93 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 125.049 1.34 . . . . 74.43 108.904 172.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 m -121.57 117.57 27.08 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.232 -0.655 . . . . 73.55 109.232 174.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -69.68 144.01 52.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.688 0.795 . . . . 74.43 111.237 -171.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -154.62 156.27 36.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.855 0.462 . . . . 62.3 111.904 -177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.13 -20.91 63.22 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.481 0.712 . . . . 50.21 111.855 169.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -97.64 130.37 44.66 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.124 0.969 . . . . 73.44 108.871 167.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -72.78 72.27 1.06 Allowed 'General case' 0 CA--C 1.568 1.654 0 CA-C-O 122.321 1.058 . . . . 74.21 112.54 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.8 m -111.56 5.04 19.17 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.322 1.049 . . . . 72.41 110.635 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.19 -17.66 15.87 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.24 1.416 . . . . 75.32 111.611 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -78.44 108.13 11.58 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.44 0.696 . . . . 74.25 109.296 175.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.426 ' HB ' HD12 ' A' ' 7' ' ' ILE . 66.0 t -101.67 119.04 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.32 0.648 . . . . 72.42 111.291 -171.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.1 t -99.73 111.39 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 C-N-CA 123.935 0.894 . . . . 72.34 110.339 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.1 mm -89.42 116.79 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.258 0.623 . . . . 70.12 109.972 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -89.55 125.25 35.14 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.231 0.613 . . . . 73.22 110.593 -178.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.66 HD21 HD12 ' A' ' 39' ' ' ILE . 88.3 mt -126.72 135.91 51.75 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.263 0.625 . . . . 72.41 111.72 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 13' ' ' ASP . 22.1 ptmt -100.62 171.51 7.66 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.285 0.634 . . . . 74.32 110.157 174.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -88.39 145.77 25.61 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 109.63 -0.508 . . . . 73.02 109.63 170.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.47 174.75 55.04 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 113.975 0.35 . . . . 74.02 113.975 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mp -83.87 34.46 0.5 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.761 0.824 . . . . 60.1 110.78 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -72.25 131.62 42.97 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.027 1.331 . . . . 72.12 109.324 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -71.96 86.09 1.0 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.229 0.537 . . . . 55.24 110.478 -178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -106.06 121.9 45.07 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.198 0.599 . . . . 73.25 111.004 -174.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -81.55 112.29 18.64 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.311 0.645 . . . . 74.53 109.801 172.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -63.27 110.64 1.96 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 123.241 0.616 . . . . 73.41 110.194 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -77.51 -58.42 3.28 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.337 0.655 . . . . 72.03 112.715 -171.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 121.598 0.713 . . . . 64.31 111.28 -178.254 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 mtt . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.416 -0.216 . . . . 75.12 110.416 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.0 105.52 4.5 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.509 -0.552 . . . . 73.04 109.509 171.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.562 ' HG3' HG23 ' A' ' 29' ' ' THR . 24.9 mm-40 -85.08 163.88 18.54 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.177 0.991 . . . . 73.4 110.749 -174.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -150.38 166.35 30.34 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 121.176 0.512 . . . . 52.12 112.113 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.07 144.64 31.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.261 1.024 . . . . 54.13 110.271 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.1 p -109.48 142.52 40.38 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.194 0.597 . . . . 74.43 111.442 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.521 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 48.4 mt -123.13 121.28 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 123.988 0.915 . . . . 73.03 110.779 -174.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -122.93 115.9 22.7 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.29 0.636 . . . . 62.34 110.969 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.09 140.74 34.9 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.994 0.518 . . . . 71.1 109.73 169.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.31 153.05 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.991 0.916 . . . . 71.13 110.106 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -112.33 102.34 10.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.738 0.815 . . . . 72.24 109.783 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HB3' ' HG2' ' A' ' 77' ' ' LYS . 21.6 t70 -56.55 -30.15 62.77 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.498 1.519 . . . . 75.33 112.185 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.8 -30.5 71.51 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 123.803 0.841 . . . . 72.25 111.646 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -110.07 45.15 1.13 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.147 0.979 . . . . 71.22 110.297 175.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.48 23.72 68.78 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.376 0.91 . . . . 72.44 115.376 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.75 39.17 6.69 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 116.955 0.378 . . . . 32.34 112.859 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.97 117.67 12.76 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.506 0.722 . . . . 65.42 111.887 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.13 127.71 33.21 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 123.384 0.674 . . . . 74.03 111.956 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -104.2 106.05 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.918 0.887 . . . . 74.23 108.918 -177.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.83 -160.12 48.35 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 116.864 -0.153 . . . . 73.24 112.917 -174.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -106.51 177.03 4.98 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.314 0.646 . . . . 72.12 111.889 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.3 mt -81.05 125.3 39.45 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.329 0 CA-C-N 115.57 -0.741 . . . . 70.12 110.657 177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 51.7 t -101.36 116.65 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.991 0.916 . . . . 75.43 110.173 -175.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 m -99.84 115.1 28.8 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.93 0.492 . . . . 71.22 110.877 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.496 HG23 ' HE1' ' A' ' 64' ' ' PHE . 20.9 m -104.51 141.1 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.243 0.617 . . . . 65.02 110.504 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -109.76 164.83 12.19 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 112.964 0.727 . . . . 75.15 112.964 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.92 -132.75 2.7 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.079 -0.509 . . . . 62.2 113.656 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' H ' ' A' ' 30' ' ' ASP . 5.4 tppp? -144.22 150.57 38.18 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.857 0.863 . . . . 71.42 109.901 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.562 HG23 ' HG3' ' A' ' 3' ' ' GLU . 21.2 p -47.28 -28.37 1.93 Allowed 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 114.373 1.249 . . . . 61.43 114.373 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.572 ' H ' ' HG3' ' A' ' 28' ' ' LYS . 36.7 t70 -77.37 -38.9 49.14 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 123.536 0.734 . . . . 72.14 112.724 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.78 164.67 12.13 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 122.015 0.912 . . . . 75.53 112.784 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.4 p -131.57 162.13 31.03 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 114.421 -1.263 . . . . 74.11 111.058 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 t -137.62 161.06 37.47 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 124.056 0.942 . . . . 74.54 110.868 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.3 p -116.58 110.52 18.65 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.131 0.572 . . . . 72.54 109.958 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -83.21 141.17 32.1 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.066 0.947 . . . . 61.3 111.244 -177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -85.92 111.17 19.98 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.319 0.648 . . . . 70.33 110.198 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.2 t -82.76 110.43 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.399 0.68 . . . . 71.34 109.933 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.9 p -101.77 110.02 21.91 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.491 0.717 . . . . 74.35 110.249 -173.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.1 mm -91.37 114.83 63.01 Favored Pre-proline 0 CA--C 1.557 1.221 0 C-N-CA 123.954 0.901 . . . . 72.33 109.943 -175.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.41 167.71 23.18 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.701 2.267 . . . . 65.21 114.007 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -60.66 134.26 56.9 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.1 0.96 . . . . 53.02 112.354 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.35 -3.53 84.45 Favored Glycine 0 CA--C 1.54 1.639 0 CA-C-O 119.668 -0.518 . . . . 54.21 114.197 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -107.16 153.98 21.87 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.601 0.76 . . . . 74.01 111.374 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -128.72 137.28 51.51 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.956 1.302 . . . . 74.32 109.741 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.418 ' OH ' HG21 ' A' ' 53' ' ' VAL . 82.1 t80 -72.96 137.15 45.32 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.857 0.463 . . . . 72.43 111.971 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.3 t -111.05 -62.53 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 123.658 0.783 . . . . 64.05 111.318 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -178.86 -175.67 46.08 Favored Glycine 0 N--CA 1.482 1.714 0 N-CA-C 114.579 0.592 . . . . 43.31 114.579 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.5 m -132.85 141.4 48.41 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.103 0.961 . . . . 75.4 111.396 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.17 149.24 36.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.892 0.877 . . . . 54.31 109.77 170.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.0 -65.09 4.17 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 122.866 0.269 . . . . 42.12 113.388 -178.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.26 172.25 53.8 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 113.934 0.334 . . . . 44.33 113.934 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.83 112.11 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 123.858 0.863 . . . . 51.13 110.062 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.418 HG21 ' OH ' ' A' ' 45' ' ' TYR . 10.2 p -108.58 155.17 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 121.195 0.521 . . . . 54.02 112.149 -173.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p -84.02 157.07 21.96 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.629 0.772 . . . . 72.51 110.51 171.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.7 t -67.07 -23.42 65.86 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.51 0.724 . . . . 60.21 112.174 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.07 -20.72 64.98 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.845 0.683 . . . . 75.11 112.845 173.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.94 17.45 69.6 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 115.589 0.995 . . . . 23.22 115.589 174.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -102.37 -36.68 8.36 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.566 0.746 . . . . 74.33 111.296 177.223 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.7 p -114.07 126.38 55.04 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.234 0.614 . . . . 74.45 111.058 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.415 HG11 HG11 ' A' ' 72' ' ' VAL . 5.7 p -119.01 115.39 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.521 0.728 . . . . 74.34 109.675 169.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.8 m -71.68 116.85 12.53 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.333 0.653 . . . . 73.15 111.164 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.5 mt -105.62 121.85 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.687 1.195 . . . . 72.41 109.304 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 m -117.99 106.46 12.94 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.293 -0.632 . . . . 75.43 109.293 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.496 ' HE1' HG23 ' A' ' 25' ' ' VAL . 49.1 m-85 -54.95 135.9 47.99 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.336 1.054 . . . . 74.31 112.672 -169.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.28 136.14 23.38 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 122.654 0.382 . . . . 62.14 111.63 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.48 -10.31 57.5 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.469 0.708 . . . . 73.43 112.498 174.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -72.28 -29.26 63.71 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.857 0.863 . . . . 75.44 111.463 173.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 65.21 76.36 0.34 Allowed 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.482 1.113 . . . . 43.14 111.199 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.6 t -152.18 7.79 0.46 Allowed 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 123.892 0.877 . . . . 51.11 111.189 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -107.32 1.1 23.54 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.023 1.329 . . . . 52.14 111.072 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -66.55 137.42 56.76 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.968 1.307 . . . . 72.44 111.021 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.415 HG11 HG11 ' A' ' 60' ' ' VAL . 72.1 t -96.87 123.18 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 123.512 0.725 . . . . 72.25 111.775 -171.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.2 t -114.2 104.7 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 109.344 -0.613 . . . . 73.11 109.344 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.0 mm -85.47 135.97 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.469 0.707 . . . . 73.55 109.872 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -114.8 133.54 55.85 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.515 0.726 . . . . 75.13 110.397 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.3 mt -131.9 155.97 46.94 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.304 1.042 . . . . 72.24 110.834 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' A' ' 12' ' ' ASP . 45.2 mtpt -134.95 169.97 16.59 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 123.062 0.545 . . . . 74.04 110.148 171.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -96.78 135.46 38.7 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 122.205 -0.309 . . . . 72.13 111.114 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.34 -53.35 6.12 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 111.139 -0.785 . . . . 53.52 111.139 174.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.605 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.5 pt? -111.78 150.14 30.71 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.984 0.913 . . . . 70.41 109.999 168.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.3 178.05 4.67 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.395 0.678 . . . . 74.11 111.035 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -92.63 17.83 9.63 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.805 0.842 . . . . 73.33 111.109 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -129.85 145.71 51.58 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.144 0.977 . . . . 74.54 110.371 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -66.44 156.21 35.33 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.902 0.481 . . . . 73.33 111.573 175.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -58.7 123.67 17.15 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.896 0.878 . . . . 73.44 112.111 -170.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -88.0 115.26 25.34 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.415 0.686 . . . . 73.52 112.24 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.4 t60 . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 123.778 0.831 . . . . 72.01 110.704 178.581 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 110.213 -0.291 . . . . 62.22 110.213 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -82.89 112.44 19.69 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.342 0.592 . . . . 75.42 111.298 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.559 ' HG2' ' HB3' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -101.27 162.41 12.91 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.28 0.632 . . . . 64.13 111.372 -179.068 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -120.86 167.68 12.27 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.374 0.67 . . . . 71.25 112.228 -174.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.28 135.04 38.64 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.044 0.938 . . . . 71.34 110.045 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -102.28 126.01 49.15 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.61 0.764 . . . . 70.01 110.465 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.614 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mp -106.34 108.82 26.04 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.777 0.831 . . . . 53.32 109.069 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.9 m -121.04 118.13 29.0 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.569 0.748 . . . . 45.52 110.387 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.449 ' HD2' HD11 ' A' ' 76' ' ' LEU . 11.7 m-85 -74.21 144.69 44.62 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.478 0.711 . . . . 62.13 109.25 171.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.8 m -142.32 135.46 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 C-N-CA 123.165 0.586 . . . . 73.13 111.734 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.37 116.1 16.74 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.992 0.517 . . . . 70.44 109.994 165.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.18 -25.22 68.24 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 123.414 0.685 . . . . 62.41 110.508 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.03 -20.2 63.27 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 124.83 1.252 . . . . 64.52 112.209 174.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -107.14 16.68 23.86 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.414 0.686 . . . . 73.24 110.584 -178.024 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.91 34.97 71.8 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 116.377 -0.374 . . . . 74.4 113.563 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.02 30.38 38.46 Favored Glycine 0 CA--C 1.54 1.625 0 N-CA-C 114.279 0.472 . . . . 54.21 114.279 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 14' ' ' LYS . . . -98.46 155.28 17.33 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.489 0.716 . . . . 62.0 111.52 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -67.04 138.74 57.4 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 115.554 1.687 . . . . 63.41 115.554 -164.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.39 129.96 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.724 1.21 . . . . 71.32 109.784 167.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.91 -106.05 2.0 Allowed Glycine 0 CA--C 1.535 1.338 0 N-CA-C 114.205 0.442 . . . . 61.44 114.205 170.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -154.45 153.75 32.05 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.083 0.553 . . . . 74.32 111.333 -173.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt -80.96 137.11 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.641 0.776 . . . . 73.51 110.751 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.614 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 39.6 t -105.9 147.55 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 124.287 1.035 . . . . 72.05 109.026 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.2 m -133.7 120.93 21.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.679 -0.638 . . . . 73.22 110.307 175.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.0 m -110.81 142.35 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.208 0.603 . . . . 72.51 110.372 174.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.7 p -121.97 137.78 54.67 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 123.461 0.704 . . . . 72.12 110.997 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.72 -142.63 3.53 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 116.25 -0.432 . . . . 63.42 112.305 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -129.23 144.44 51.22 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.049 0.54 . . . . 75.44 110.805 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -53.68 -33.34 55.06 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.418 1.266 . . . . 60.42 114.418 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.22 -31.61 71.23 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 123.428 0.691 . . . . 74.33 111.976 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -98.55 162.89 12.9 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.43 0.692 . . . . 63.42 111.688 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 98.0 p -132.67 155.44 48.77 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.779 0.799 . . . . 52.53 111.215 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 t -132.0 162.11 31.52 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.883 1.273 . . . . 71.32 109.947 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.0 m -123.96 127.49 48.03 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 120.946 0.403 . . . . 72.33 111.209 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -113.64 130.93 56.31 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.346 1.058 . . . . 74.22 109.866 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -89.9 141.2 28.87 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.075 0.464 . . . . 75.44 111.39 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.485 HG22 HD13 ' A' ' 74' ' ' ILE . 61.1 t -77.3 132.68 32.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.195 0.998 . . . . 73.12 109.767 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.9 p -103.13 106.76 17.34 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.836 0.854 . . . . 74.35 109.187 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.8 mm -93.74 109.53 41.85 Favored Pre-proline 0 N--CA 1.482 1.134 0 C-N-CA 123.507 0.723 . . . . 74.32 110.333 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.16 145.58 24.56 Favored 'Trans proline' 0 C--N 1.373 1.82 0 C-N-CA 122.172 1.915 . . . . 64.12 112.589 174.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.88 115.51 3.75 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.672 0.789 . . . . 71.51 110.849 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.92 -21.89 9.37 Favored Glycine 0 N--CA 1.479 1.534 0 C-N-CA 123.251 0.453 . . . . 74.45 112.135 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -108.98 157.91 18.21 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.444 1.098 . . . . 72.01 109.497 172.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.56 143.49 37.37 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 109.267 -0.642 . . . . 73.23 109.267 -179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -71.09 131.38 43.52 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.762 0.825 . . . . 72.44 112.952 -173.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.0 t -101.77 -60.84 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.617 0.767 . . . . 73.24 110.382 171.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.06 -164.82 29.73 Favored Glycine 0 N--CA 1.475 1.249 0 CA-C-N 116.513 -0.312 . . . . 64.22 113.332 -173.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -147.99 141.08 24.97 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.053 0.941 . . . . 73.34 110.595 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.405 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 31.7 t70 -121.52 151.33 40.42 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.792 1.237 . . . . 54.21 110.328 -176.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.44 -68.7 3.48 Favored Glycine 0 N--CA 1.477 1.376 0 N-CA-C 113.886 0.315 . . . . 70.43 113.886 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.561 ' HA3' HG22 ' A' ' 72' ' ' VAL . . . -76.72 153.55 42.44 Favored Glycine 0 CA--C 1.536 1.403 0 CA-C-O 119.928 -0.373 . . . . 34.44 112.222 175.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.95 107.24 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 117.231 0.516 . . . . 73.34 110.224 -173.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.401 HG23 HG22 ' A' ' 60' ' ' VAL . 11.5 p -91.62 147.1 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 C-N-CA 123.426 0.69 . . . . 73.31 111.684 -174.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.8 p -73.2 172.65 10.72 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.718 0.807 . . . . 73.31 112.388 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.0 t -65.62 -33.64 76.38 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.74 0.816 . . . . 54.34 112.035 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -85.18 -18.04 35.32 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.493 0.717 . . . . 72.01 111.839 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.69 -20.96 28.75 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 115.145 0.818 . . . . 72.43 115.145 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -67.16 -42.86 83.6 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 117.505 0.652 . . . . 72.42 112.117 -174.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.1 p -106.19 121.75 44.82 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.004 0.522 . . . . 73.44 111.318 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.401 HG22 HG23 ' A' ' 53' ' ' VAL . 46.5 t -112.55 114.04 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.123 0.969 . . . . 74.33 109.762 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.1 m -82.99 112.12 19.47 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.438 0.637 . . . . 51.23 110.485 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 mt -93.12 123.51 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 C-N-CA 124.469 1.108 . . . . 73.31 109.986 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.1 m -122.62 111.06 16.31 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 109.597 -0.52 . . . . 75.24 109.597 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 53.9 m-85 -58.43 156.76 9.81 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.845 1.258 . . . . 74.14 112.349 -174.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.66 152.51 30.91 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 112.281 0.474 . . . . 73.13 112.281 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.65 -24.79 67.93 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.857 0.863 . . . . 72.24 111.369 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -107.53 107.75 18.74 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.119 0.967 . . . . 73.22 108.693 168.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.548 ' HB2' HD21 ' A' ' 71' ' ' ASN . 5.2 p-10 -70.5 91.98 0.81 Allowed 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 122.114 0.959 . . . . 55.14 113.505 -168.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.3 t -125.96 12.59 7.82 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.526 1.131 . . . . 65.31 109.536 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -105.98 -4.66 20.3 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.2 1.4 . . . . 75.13 112.419 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.548 HD21 ' HB2' ' A' ' 68' ' ' ASP . 36.4 m-80 -66.27 132.82 49.27 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.379 0.671 . . . . 75.35 110.525 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.561 HG22 ' HA3' ' A' ' 51' ' ' GLY . 64.0 t -99.57 119.32 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.316 0.647 . . . . 73.22 110.887 -171.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 87.9 t -111.37 99.94 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.717 0.807 . . . . 62.02 108.969 175.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 37' ' ' VAL . 68.6 mt -85.53 115.34 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.846 0.458 . . . . 53.32 110.149 -175.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -85.43 131.23 34.42 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.653 0.781 . . . . 74.33 111.351 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.449 HD11 ' HD2' ' A' ' 9' ' ' TYR . 86.5 mt -133.89 148.62 51.27 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.68 1.192 . . . . 74.44 110.732 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -112.95 172.41 6.95 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.591 0.757 . . . . 72.14 109.487 167.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -85.59 129.62 34.78 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.915 -0.772 . . . . 75.53 108.915 165.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.28 -115.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.698 -0.501 . . . . 61.41 112.471 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.0 mt 55.57 27.01 9.78 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.145 0.978 . . . . 54.14 111.847 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.91 82.34 2.81 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.499 0.72 . . . . 75.05 111.125 -172.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -86.2 65.86 9.28 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.882 0.873 . . . . 74.1 109.786 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -142.91 158.35 43.7 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.294 1.038 . . . . 71.35 110.326 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -83.38 83.6 7.82 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 109.298 -0.63 . . . . 55.13 109.298 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -125.1 78.2 1.69 Allowed 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.106 0.479 . . . . 63.14 112.006 -172.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 47.92 74.13 0.18 Allowed 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 125.27 1.428 . . . . 73.33 113.343 173.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 N--CA 1.49 1.564 0 C-N-CA 123.846 0.858 . . . . 73.44 111.591 -177.759 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.7 mtm . . . . . 0 N--CA 1.498 1.944 0 CA-C-O 119.948 -0.072 . . . . 54.55 111.105 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -60.34 113.73 2.55 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 109.304 -0.628 . . . . 71.34 109.304 170.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -87.35 140.02 29.97 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.199 -0.455 . . . . 75.43 111.54 -160.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -116.7 131.66 56.89 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.12 0.568 . . . . 62.42 111.081 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.77 130.37 56.82 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.981 0.912 . . . . 64.3 109.345 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.4 t -111.85 139.59 47.21 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.291 0.567 . . . . 72.02 111.725 -173.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.66 109.76 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 123.933 0.893 . . . . 61.24 109.233 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -101.67 112.33 24.88 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.257 1.023 . . . . 73.4 110.644 -176.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -82.86 120.54 25.78 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 122.637 0.375 . . . . 71.33 110.158 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.8 m -123.06 150.95 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-O 121.859 0.837 . . . . 75.51 111.358 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -93.41 97.84 10.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.793 1.237 . . . . 71.4 108.054 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.41 -27.91 68.88 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.33 1.052 . . . . 70.32 112.624 -173.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -86.8 -8.71 57.09 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.417 0.687 . . . . 70.15 112.774 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -114.49 39.68 2.74 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.56 0.695 . . . . 74.24 109.949 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.08 23.81 68.16 Favored Glycine 0 N--CA 1.483 1.777 0 N-CA-C 114.951 0.74 . . . . 74.14 114.951 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.02 41.73 26.59 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-O 120.155 -0.247 . . . . 71.51 113.458 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.44 133.84 39.73 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.298 0.639 . . . . 72.4 112.009 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -60.5 124.24 19.77 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.043 0.449 . . . . 70.2 112.033 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.69 106.4 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 124.451 1.1 . . . . 72.34 109.626 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.46 -109.49 2.86 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 116.694 -0.23 . . . . 44.14 113.438 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -137.69 165.33 26.65 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.788 0.835 . . . . 73.35 111.485 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.6 mt -95.39 140.96 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 C-N-CA 123.945 0.898 . . . . 44.2 111.355 -174.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -103.18 101.77 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.302 0.641 . . . . 72.14 110.621 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.4 m -99.64 134.43 42.54 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 122.897 0.479 . . . . 65.41 110.59 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.3 m -123.54 151.24 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 C-N-CA 123.739 0.816 . . . . 63.12 110.794 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.2 p -112.36 155.99 23.22 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.454 0.702 . . . . 51.41 111.709 -177.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.96 -126.67 1.1 Allowed Glycine 0 C--N 1.343 0.962 0 CA-C-N 115.625 -0.716 . . . . 74.01 111.754 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -159.16 150.86 20.56 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 117.382 0.591 . . . . 71.44 109.663 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.482 HG22 ' HA ' ' A' ' 65' ' ' ALA . 49.6 p -51.16 -39.68 56.9 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 114.232 1.197 . . . . 74.32 114.232 -176.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.62 -29.51 64.75 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.515 0.726 . . . . 71.21 111.548 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.89 157.22 19.57 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.016 0.926 . . . . 75.11 112.106 -176.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.6 p -145.7 159.02 43.77 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 115.385 -0.825 . . . . 74.24 111.081 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -150.26 162.0 41.34 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.878 0.871 . . . . 61.01 111.183 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.2 p -104.04 125.83 50.69 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.448 0.699 . . . . 74.04 110.053 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -113.22 128.29 56.43 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.064 0.946 . . . . 62.01 109.925 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 m -84.24 131.17 34.77 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 110.307 -0.257 . . . . 72.32 110.307 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.24 134.76 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.849 0.86 . . . . 72.25 110.893 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m -110.29 115.99 30.67 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.907 0.883 . . . . 71.44 110.279 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.7 mm -99.95 114.96 65.91 Favored Pre-proline 0 CA--C 1.558 1.284 0 C-N-CA 123.315 0.646 . . . . 72.21 110.045 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.32 159.72 50.97 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.254 1.969 . . . . 73.33 113.186 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.84 138.77 58.58 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.316 0.646 . . . . 74.13 111.316 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.85 -0.04 89.87 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 115.881 -0.6 . . . . 63.41 113.51 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -113.49 160.61 18.29 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.818 0.847 . . . . 73.54 111.457 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HB2' ' HB2' ' A' ' 77' ' ' LYS . 37.8 mt-10 -127.57 157.09 41.11 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.839 1.256 . . . . 74.13 109.266 176.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -82.63 130.2 35.08 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 118.097 0.408 . . . . 72.11 111.274 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.538 HG22 ' HG3' ' A' ' 77' ' ' LYS . 69.9 t -99.21 -65.16 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 123.409 0.683 . . . . 73.44 110.592 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.78 168.22 40.06 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 115.837 -0.62 . . . . 61.25 113.554 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.503 HG23 HG13 ' A' ' 72' ' ' VAL . 22.2 m -107.88 132.87 53.0 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.85 0.86 . . . . 60.1 110.895 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 38.8 t70 -115.3 150.16 36.7 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.96 0.904 . . . . 70.42 110.359 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.77 -72.2 2.87 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 122.606 0.146 . . . . 72.35 113.277 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.689 ' HA3' HG22 ' A' ' 72' ' ' VAL . . . -84.22 -173.11 49.61 Favored Glycine 0 N--CA 1.475 1.268 0 N-CA-C 114.332 0.493 . . . . 34.1 114.332 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.493 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 30.8 t -94.57 138.08 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.462 0.705 . . . . 71.51 110.353 -177.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -113.41 147.79 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 123.25 0.62 . . . . 72.24 111.741 -177.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 t -66.51 165.3 14.77 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.881 0.872 . . . . 71.2 112.042 171.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.8 t -61.57 -32.43 72.52 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.886 0.874 . . . . 53.44 111.847 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.45 -19.16 33.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.604 0.762 . . . . 74.24 112.455 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.35 14.4 71.68 Favored Glycine 0 N--CA 1.486 1.986 0 CA-C-O 121.364 0.425 . . . . 41.13 113.173 -165.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -84.84 -43.13 14.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.155 1.382 . . . . 71.25 111.157 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.0 p -123.43 164.72 18.34 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.197 0.999 . . . . 74.54 110.149 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.0 m -133.56 133.55 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.448 1.099 . . . . 75.45 109.972 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.493 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 50.5 m -78.5 104.41 9.08 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.228 0.611 . . . . 62.31 110.309 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.0 mm -85.84 105.0 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.303 0.641 . . . . 61.23 109.578 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.8 m -117.23 120.59 38.72 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 108.091 -1.078 . . . . 75.22 108.091 173.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -70.06 148.15 49.15 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.41 0.684 . . . . 73.13 111.264 -171.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.482 ' HA ' HG22 ' A' ' 29' ' ' THR . . . -153.39 155.28 36.09 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.53 0.732 . . . . 64.32 110.446 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.99 32.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 122.81 0.444 . . . . 72.25 111.251 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -132.36 -161.03 1.1 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.421 1.088 . . . . 65.32 110.834 -168.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -105.44 -1.07 25.41 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.116 0.966 . . . . 73.14 111.048 171.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.2 t -77.37 -19.93 55.51 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.316 1.046 . . . . 71.04 112.389 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.86 -21.88 31.85 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.104 0.962 . . . . 74.52 110.925 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -68.52 124.27 23.13 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.822 0.849 . . . . 64.41 109.711 174.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.689 HG22 ' HA3' ' A' ' 51' ' ' GLY . 96.6 t -111.03 118.82 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.004 0.922 . . . . 64.21 110.17 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 47.8 t -108.09 110.14 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.457 0.703 . . . . 72.0 109.863 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 43.7 mm -89.33 115.22 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.531 0.733 . . . . 44.31 109.962 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -91.66 134.87 34.32 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.265 0.626 . . . . 72.14 109.981 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.5 mt -128.17 138.51 52.52 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.712 0.634 . . . . 51.34 112.712 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.538 ' HG3' HG22 ' A' ' 46' ' ' VAL . 6.7 mtpm? -93.14 172.24 8.43 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.617 0.767 . . . . 73.22 111.006 173.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -100.08 142.78 31.09 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.289 -0.869 . . . . 75.24 110.775 166.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.19 -162.68 29.57 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 111.109 -0.796 . . . . 72.52 111.109 167.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.5 mt -91.9 107.64 19.36 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.246 0.523 . . . . 74.31 110.48 173.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -78.39 159.84 28.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.969 0.507 . . . . 73.35 111.325 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -91.16 124.13 35.14 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.673 -1.232 . . . . 72.12 107.673 164.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -50.38 110.17 0.38 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.35 1.06 . . . . 73.42 112.0 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -133.5 139.14 46.47 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.373 0.669 . . . . 71.05 111.893 -170.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -86.38 98.35 10.95 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.425 0.69 . . . . 72.43 109.83 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -138.97 135.91 34.84 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.205 0.602 . . . . 75.11 111.237 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.3 t60 . . . . . 0 N--CA 1.484 1.249 0 C-N-CA 123.66 0.784 . . . . 63.15 110.665 177.172 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.8 mtp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.684 0.278 . . . . 71.23 110.515 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -88.36 121.5 30.82 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.561 -0.903 . . . . 74.51 108.561 171.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -84.17 139.88 32.11 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.365 0.266 . . . . 72.11 111.39 -164.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -116.09 168.2 10.31 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.639 0.607 . . . . 71.41 112.639 -172.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.556 ' HA ' ' HB2' ' A' ' 70' ' ' ASP . . . -148.05 132.36 17.5 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.129 -0.941 . . . . 62.34 110.872 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 71' ' ' ASN . 75.4 p -97.76 135.75 39.09 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.739 0.816 . . . . 73.34 110.692 -175.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' A' ' 23' ' ' VAL . 13.0 mt -123.51 118.84 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.115 0.566 . . . . 70.41 109.805 -178.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.4 m -117.39 120.03 36.92 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.32 0.648 . . . . 71.42 111.586 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -84.66 134.26 34.37 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.345 0.658 . . . . 53.44 110.025 171.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.35 136.03 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 C-N-CA 123.872 0.869 . . . . 75.34 110.942 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -77.37 100.47 5.96 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.974 0.51 . . . . 72.34 110.165 168.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -66.43 -20.19 65.99 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 121.129 0.49 . . . . 55.22 110.374 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -65.2 -28.18 69.2 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 124.828 1.251 . . . . 73.11 111.578 172.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.53 50.38 1.19 Allowed 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 123.456 0.702 . . . . 50.11 110.367 178.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.55 26.65 46.17 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 116.19 1.236 . . . . 40.04 116.19 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.21 39.23 7.44 Favored Glycine 0 N--CA 1.477 1.382 0 C-N-CA 123.091 0.377 . . . . 64.01 113.317 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.01 114.11 9.76 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.532 0.733 . . . . 41.05 111.485 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.482 HE21 ' HA ' ' A' ' 21' ' ' ASP . 52.6 tt0 -60.12 123.08 16.04 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.104 0.561 . . . . 54.11 111.767 -176.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 76' ' ' LEU . 14.4 t -92.29 104.64 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.451 0.7 . . . . 75.22 109.514 -176.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.89 -94.63 0.79 Allowed Glycine 0 CA--C 1.538 1.506 0 CA-C-N 116.309 -0.405 . . . . 75.33 113.329 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.482 ' HA ' HE21 ' A' ' 18' ' ' GLN . 3.8 p-10 -155.68 -178.54 7.36 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.522 0.677 . . . . 73.54 112.797 -170.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.9 mt -105.18 134.16 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 C-N-CA 124.252 1.021 . . . . 74.12 109.937 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG23 ' HB ' ' A' ' 7' ' ' ILE . 6.8 m -109.96 116.63 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.427 0.691 . . . . 75.44 110.932 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 m -103.78 108.85 20.34 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.168 0.587 . . . . 70.11 110.695 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 m -97.56 143.26 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 123.039 0.536 . . . . 74.51 110.952 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -113.18 150.97 31.52 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.564 0.697 . . . . 64.11 112.83 -173.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.35 -110.42 0.27 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 115.412 -0.813 . . . . 53.24 111.575 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -161.42 154.68 21.24 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 117.668 0.734 . . . . 75.32 111.455 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.0 p -52.44 -38.45 59.26 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.468 0.914 . . . . 52.24 113.468 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -86.88 16.22 5.1 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 123.981 0.912 . . . . 60.11 111.624 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -134.84 148.97 50.28 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 124.285 1.034 . . . . 73.24 110.334 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.0 p -133.33 141.38 47.92 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.537 0.735 . . . . 45.23 111.073 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.3 t -114.3 161.11 18.3 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.755 0.822 . . . . 65.02 111.242 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.5 p -110.53 105.76 14.82 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.548 0.739 . . . . 72.14 109.697 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -97.23 129.64 44.54 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.203 1.001 . . . . 63.53 110.031 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.7 m -84.59 136.7 33.67 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.258 0.481 . . . . 73.32 111.026 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.2 t -75.74 130.97 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.056 0 C-N-CA 123.652 0.781 . . . . 74.1 110.266 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.9 p -103.39 120.85 41.59 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.04 0.936 . . . . 65.34 111.085 -177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 45' ' ' TYR . 49.5 mm -95.38 111.42 55.17 Favored Pre-proline 0 CA--C 1.56 1.36 0 C-N-CA 124.009 0.924 . . . . 64.05 111.074 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.613 ' HD2' ' HB2' ' A' ' 43' ' ' TYR . 4.6 Cg_exo -79.29 172.01 15.27 Favored 'Trans proline' 0 CA--C 1.566 2.102 0 C-N-CA 123.359 2.706 . . . . 64.31 113.326 175.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -69.38 105.97 2.77 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.843 0.857 . . . . 73.12 112.778 -174.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.82 11.92 51.78 Favored Glycine 0 N--CA 1.483 1.778 0 CA-C-N 116.211 -0.45 . . . . 45.34 114.053 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.613 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 45.0 m-85 -120.74 152.14 38.66 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 124.245 1.018 . . . . 62.33 109.906 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -137.44 140.18 41.1 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 123.417 0.687 . . . . 61.02 111.403 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.525 ' HB2' HD11 ' A' ' 39' ' ' ILE . 78.0 t80 -66.66 123.43 20.07 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.214 0.606 . . . . 75.22 112.181 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.4 t -99.01 -58.11 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.531 0.733 . . . . 75.11 111.229 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -170.2 -176.53 39.82 Favored Glycine 0 N--CA 1.476 1.359 0 CA-C-N 116.704 -0.225 . . . . 72.31 113.435 -173.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.1 m -146.65 137.24 23.89 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.898 0.879 . . . . 70.44 111.032 -177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -121.97 152.6 39.54 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.838 1.255 . . . . 72.04 110.139 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.14 -70.71 1.05 Allowed Glycine 0 N--CA 1.476 1.316 0 C-N-CA 122.533 0.111 . . . . 43.52 113.305 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.89 -171.05 47.38 Favored Glycine 0 N--CA 1.478 1.474 0 N-CA-C 113.907 0.323 . . . . 71.44 113.907 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.0 t -101.58 117.02 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 123.35 0.66 . . . . 62.42 110.081 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.1 p -87.22 140.07 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-O 120.907 0.384 . . . . 72.34 111.235 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -72.93 167.82 20.23 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.565 0.746 . . . . 72.12 111.986 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.0 p -62.51 -29.72 70.75 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.416 1.087 . . . . 72.34 113.14 -174.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -88.46 -18.35 28.43 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.56 0.578 . . . . 70.45 112.56 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.25 -2.2 57.66 Favored Glycine 0 CA--C 1.545 1.924 0 N-CA-C 114.335 0.494 . . . . 70.55 114.335 -172.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -71.87 -35.65 69.86 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.143 0.977 . . . . 74.12 111.899 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.7 p -123.71 147.87 47.08 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.211 1.004 . . . . 51.22 110.657 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.3 m -125.28 117.49 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 C-N-CA 125.152 1.381 . . . . 71.32 109.561 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.1 m -71.0 113.16 7.75 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.441 0.696 . . . . 62.14 110.414 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 mm -98.79 116.86 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.686 0.795 . . . . 50.44 109.777 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.1 m -103.12 127.73 50.29 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 108.732 -0.84 . . . . 52.44 108.732 174.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.69 138.03 46.36 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.643 0.777 . . . . 72.31 110.929 -172.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.72 137.62 31.8 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 111.937 0.347 . . . . 72.12 111.937 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.19 -22.96 61.96 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.228 0.611 . . . . 64.12 110.944 169.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -84.5 173.5 10.79 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.14 0.976 . . . . 74.1 110.649 176.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.14 29.18 0.22 Allowed 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 123.726 0.81 . . . . 62.35 113.095 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.2 t -95.4 -7.83 37.32 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.895 0.878 . . . . 35.03 111.31 174.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.556 ' HB2' ' HA ' ' A' ' 5' ' ' ALA . 7.8 p-10 -75.86 -30.54 58.95 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.088 0.955 . . . . 54.42 111.996 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.8 p30 -73.62 96.58 2.49 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.79 0.805 . . . . 64.33 111.622 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.5 t -93.09 118.98 40.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 124.45 1.1 . . . . 51.34 109.738 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.6 t -99.17 107.25 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.121 0.568 . . . . 72.15 110.55 -175.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 57.8 mt -91.11 136.18 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.36 0.664 . . . . 54.5 109.285 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -109.27 142.85 39.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.11 0.964 . . . . 74.35 111.334 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 19' ' ' VAL . 95.6 mt -134.68 160.16 39.01 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.614 1.166 . . . . 74.55 110.808 -178.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -138.22 148.28 44.63 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.763 0.425 . . . . 74.21 111.074 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -78.08 120.47 22.95 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.775 -0.454 . . . . 62.21 109.775 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -83.17 -111.3 0.51 Allowed Glycine 0 C--N 1.347 1.187 0 CA-C-N 116.739 -0.21 . . . . 43.12 112.875 -175.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.81 112.82 17.46 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 108.03 -1.1 . . . . 74.41 108.03 169.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -71.81 164.01 26.79 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 121.771 0.796 . . . . 62.53 112.354 -172.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.581 ' HB3' ' HB3' ' A' ' 85' ' ' HIS . 63.1 m80 -82.56 -11.16 58.63 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 114.583 -1.19 . . . . 75.22 113.844 -160.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 24.7 p80 43.25 -76.07 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 126.744 2.018 . . . . 74.3 116.149 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -69.12 -34.54 75.2 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.418 0.687 . . . . 72.43 110.651 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.581 ' HB3' ' HB3' ' A' ' 82' ' ' HIS . 24.8 t60 -80.81 122.67 27.47 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 107.721 -1.214 . . . . 51.53 107.721 163.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -80.74 20.07 0.78 Allowed 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 114.161 1.171 . . . . 74.35 114.161 -165.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 121.948 0.88 . . . . 75.31 111.471 177.62 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 ttm . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 110.11 -0.33 . . . . 75.1 110.11 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -86.56 114.6 23.43 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 109.752 -0.462 . . . . 64.12 109.752 169.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -112.53 170.64 8.03 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.556 0.742 . . . . 75.31 112.17 -175.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -112.02 131.93 55.11 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.884 0.874 . . . . 73.15 111.944 -169.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.68 119.28 37.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.703 0.801 . . . . 55.54 109.462 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.539 ' OG1' HG23 ' A' ' 22' ' ' ILE . 9.6 t -98.23 139.75 33.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.373 0.606 . . . . 62.42 111.788 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.579 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 3.6 mp -105.06 112.7 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 N-CA-C 107.808 -1.182 . . . . 75.13 107.808 174.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -125.18 108.18 11.5 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.521 0.729 . . . . 72.24 109.939 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 19' ' ' VAL . 16.0 m-85 -74.73 140.4 44.09 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.14 -0.689 . . . . 72.02 109.14 172.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.3 m -144.21 145.71 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 124.265 1.026 . . . . 74.0 109.823 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -102.57 130.3 49.39 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.83 -0.544 . . . . 74.22 110.852 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.44 -29.01 68.74 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.301 1.04 . . . . 72.15 112.057 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.56 -37.16 57.32 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.533 1.133 . . . . 62.13 113.124 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.26 23.83 13.23 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 121.232 0.539 . . . . 71.32 110.279 -173.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.63 33.91 63.34 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 115.667 -0.697 . . . . 74.32 113.928 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.5 54.03 3.08 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-O 120.256 -0.191 . . . . 61.11 113.546 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.85 135.69 33.24 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 122.953 0.501 . . . . 53.54 110.979 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -64.05 128.19 34.73 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 123.375 0.67 . . . . 73.54 111.983 -174.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 49.9 t -109.77 123.15 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 124.76 1.224 . . . . 72.4 109.893 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.08 -116.02 4.23 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-O 120.042 -0.31 . . . . 73.13 112.922 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -147.17 166.34 27.27 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.536 0.684 . . . . 65.01 112.61 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.539 HG23 ' OG1' ' A' ' 6' ' ' THR . 2.4 mp -88.07 116.0 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 124.302 1.041 . . . . 72.11 109.66 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 60.2 t -105.97 101.92 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.289 0.635 . . . . 71.43 110.699 -173.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 p -92.37 125.11 36.88 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.763 -0.586 . . . . 72.11 111.82 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.9 m -108.91 151.07 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.228 1.011 . . . . 70.1 109.136 168.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.1 m -129.8 128.61 42.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 122.103 -0.373 . . . . 71.02 110.811 -175.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.55 -157.36 8.8 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 111.963 -0.455 . . . . 64.23 111.963 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 31' ' ' ASP . 14.3 mmmm -112.12 154.91 24.75 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.997 0.519 . . . . 54.12 110.7 -176.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.5 p -59.3 -31.5 69.2 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 112.453 0.538 . . . . 62.11 112.453 171.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.76 -32.43 69.56 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.955 0.902 . . . . 72.2 111.361 172.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.431 ' HB3' ' H ' ' A' ' 28' ' ' LYS . 34.0 t70 -90.28 153.36 20.52 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 124.222 1.009 . . . . 63.14 112.003 -174.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.9 p -129.73 139.51 51.3 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.361 0.664 . . . . 44.0 110.481 172.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.432 HG23 ' HB ' ' A' ' 62' ' ' ILE . 9.8 t -116.73 161.81 18.66 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 124.371 1.068 . . . . 55.24 111.165 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.2 p -107.29 149.68 27.52 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.9 0.88 . . . . 62.42 111.119 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.459 ' CE2' HG21 ' A' ' 7' ' ' ILE . 77.8 t80 -142.0 126.31 17.6 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.021 0.529 . . . . 74.43 110.85 173.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.4 m -87.94 116.21 25.95 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.794 0.438 . . . . 71.43 110.144 173.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.29 125.25 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.599 0.76 . . . . 74.22 110.478 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.9 m -108.23 108.54 19.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.058 0.943 . . . . 54.33 109.929 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.482 HD12 HD21 ' A' ' 76' ' ' LEU . 37.6 mm -92.6 111.08 49.23 Favored Pre-proline 0 N--CA 1.486 1.349 0 C-N-CA 123.248 0.619 . . . . 62.3 110.386 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.31 146.64 57.32 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.207 1.938 . . . . 64.05 112.664 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.58 135.01 56.5 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 121.304 0.574 . . . . 73.32 111.829 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.6 -24.53 30.56 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 115.188 -0.914 . . . . 55.01 111.756 -168.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 63.2 m-85 -103.93 144.48 31.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.241 0.616 . . . . 71.31 111.389 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 77' ' ' LYS . 15.8 mm-40 -112.23 121.02 43.74 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.761 1.225 . . . . 71.33 110.155 -175.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -67.05 114.07 5.54 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 117.987 0.358 . . . . 74.43 111.806 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -96.68 -49.88 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.539 0.735 . . . . 73.41 110.602 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.43 174.27 46.09 Favored Glycine 0 N--CA 1.473 1.111 0 CA-C-N 115.771 -0.65 . . . . 74.4 112.284 -178.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.2 m -143.9 142.3 30.71 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 117.256 0.528 . . . . 72.52 111.017 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -112.09 154.65 25.1 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.575 1.15 . . . . 74.33 110.397 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.68 -85.82 0.41 Allowed Glycine 0 N--CA 1.477 1.405 0 CA-C-O 120.237 -0.202 . . . . 72.03 113.109 172.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.2 -160.54 36.62 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 114.382 0.513 . . . . 71.44 114.382 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.414 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 88.2 t -93.0 106.23 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.674 0.79 . . . . 63.25 109.355 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.3 t -90.34 143.28 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 122.668 0.387 . . . . 73.45 111.495 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -67.83 162.11 24.78 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.189 0.996 . . . . 53.15 111.876 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 p -55.39 -39.41 70.12 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.063 0.945 . . . . 73.15 112.011 176.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -94.57 -2.3 51.77 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.679 0.792 . . . . 64.44 111.8 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.52 30.32 76.28 Favored Glycine 0 C--N 1.357 1.72 0 C-N-CA 122.673 0.177 . . . . 54.03 113.409 -175.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -88.98 -30.3 18.87 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.948 0.899 . . . . 72.54 112.217 -177.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -134.85 149.83 50.39 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.694 0.797 . . . . 72.12 110.524 -177.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.8 t -134.98 121.33 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.964 0.906 . . . . 55.52 109.797 175.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.414 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 20.3 m -81.84 103.87 11.81 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 109.229 -0.656 . . . . 55.33 109.229 173.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.432 ' HB ' HG23 ' A' ' 33' ' ' THR . 52.7 mt -90.49 106.72 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 124.372 1.069 . . . . 74.14 110.328 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.5 m -107.19 125.61 51.33 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.243 -0.651 . . . . 51.41 109.243 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.513 ' HA ' ' HB3' ' A' ' 70' ' ' ASP . 81.4 m-85 -71.8 148.01 46.68 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.69 0.626 . . . . 73.31 112.69 -170.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.82 154.79 43.77 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.049 0.939 . . . . 73.54 110.903 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.63 70.08 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.289 0.636 . . . . 73.33 111.756 174.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -100.09 173.94 6.4 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.018 0.927 . . . . 74.4 110.078 173.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -79.63 73.85 6.32 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.426 0.631 . . . . 52.51 111.03 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.7 m -112.67 -14.51 13.14 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.198 0.999 . . . . 62.52 110.733 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' A' ' 64' ' ' PHE . 1.4 p-10 -95.45 -27.29 15.48 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.805 1.242 . . . . 62.43 111.946 -178.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -69.93 114.13 7.82 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.411 0.684 . . . . 75.34 110.837 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.452 ' HB ' HG13 ' A' ' 7' ' ' ILE . 72.3 t -94.58 121.85 45.53 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 124.783 1.233 . . . . 75.45 111.517 -170.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.97 110.88 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.295 0.638 . . . . 75.21 110.608 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.5 mp -91.25 133.46 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 109.449 -0.574 . . . . 73.52 109.449 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -108.67 133.19 53.1 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.036 0.934 . . . . 74.55 110.297 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.482 HD21 HD12 ' A' ' 39' ' ' ILE . 94.1 mt -128.3 161.94 28.22 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.809 0.844 . . . . 72.13 111.997 -173.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.608 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 48.8 mmtt -120.18 161.05 21.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.686 0.794 . . . . 70.21 110.123 170.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -97.29 138.54 34.6 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.478 0.711 . . . . 73.32 111.18 175.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 42.15 -106.06 0.07 OUTLIER Glycine 0 CA--C 1.541 1.671 0 N-CA-C 116.61 1.404 . . . . 55.52 116.61 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mp -111.36 40.22 2.13 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 124.46 1.104 . . . . 74.03 111.805 -171.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' HB2' ' HB3' ' A' ' 77' ' ' LYS . 39.4 mt-10 -81.86 66.97 7.66 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.654 0.74 . . . . 62.31 111.778 178.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -145.49 3.66 1.0 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.62 1.568 . . . . 75.2 109.75 171.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -146.16 128.03 15.4 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.287 0.635 . . . . 70.14 110.336 -172.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -77.47 171.48 14.82 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.734 0.814 . . . . 75.01 111.988 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -99.18 -37.11 9.44 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.227 0.611 . . . . 73.15 111.238 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -88.9 135.63 33.43 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.361 0.664 . . . . 65.22 110.634 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 . . . . . 0 N--CA 1.484 1.269 0 C-N-CA 124.188 0.995 . . . . 74.41 111.189 -177.669 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtm . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 112.266 0.469 . . . . 72.04 112.266 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -111.55 142.23 44.11 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.101 0.56 . . . . 73.4 111.225 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -110.99 143.2 42.04 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.606 0.762 . . . . 72.24 111.423 -172.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -97.27 162.13 13.48 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.206 0.602 . . . . 64.33 110.502 173.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.98 125.17 41.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.933 0.893 . . . . 62.42 109.308 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.8 p -97.98 128.79 44.76 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.545 0.738 . . . . 73.03 111.49 -167.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.577 ' HB ' ' HB ' ' A' ' 23' ' ' VAL . 26.7 mt -120.32 132.11 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 124.014 0.925 . . . . 72.41 109.411 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.1 m -143.12 121.28 12.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.708 -0.62 . . . . 75.12 111.462 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' HD2' HD11 ' A' ' 76' ' ' LEU . 28.9 m-85 -79.93 129.36 34.43 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.778 0.831 . . . . 63.24 109.585 172.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 17' ' ' ALA . 26.8 m -120.22 141.69 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 112.82 0.674 . . . . 74.01 112.82 -174.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 23.7 t0 -90.7 94.25 9.6 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.366 1.066 . . . . 73.32 109.316 175.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.19 -14.92 62.66 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.604 0.965 . . . . 65.24 113.604 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.47 -13.55 58.05 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.302 0.641 . . . . 75.42 110.844 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -118.36 22.66 12.0 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.992 0.917 . . . . 65.42 110.314 -177.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.84 40.43 64.09 Favored Glycine 0 C--N 1.35 1.346 0 CA-C-N 115.936 -0.574 . . . . 60.0 114.101 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.92 48.69 39.44 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 113.724 0.25 . . . . 63.24 113.724 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -74.7 167.73 21.22 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.096 0.558 . . . . 73.51 112.099 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.495 HE21 ' HA ' ' A' ' 21' ' ' ASP . 53.5 tt0 -83.38 120.38 25.81 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.907 -0.496 . . . . 75.33 111.22 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.1 t -101.52 107.95 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.715 0.806 . . . . 74.42 109.082 173.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.86 -121.04 5.3 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-O 120.103 -0.276 . . . . 54.11 112.812 -176.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.495 ' HA ' HE21 ' A' ' 18' ' ' GLN . 26.4 t0 -147.54 162.19 39.59 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.458 0.703 . . . . 71.15 111.299 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.34 132.04 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 C-N-CA 123.761 0.825 . . . . 44.14 110.768 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.577 ' HB ' ' HB ' ' A' ' 7' ' ' ILE . 58.7 t -106.07 112.77 40.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 124.457 1.103 . . . . 61.31 110.084 -177.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.5 p -104.97 130.92 53.06 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.812 0.445 . . . . 72.2 111.198 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.7 m -112.8 138.77 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.683 0.793 . . . . 72.41 109.387 172.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.2 m -106.23 141.65 37.23 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 123.184 0.594 . . . . 64.5 111.999 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.22 -134.1 1.81 Allowed Glycine 0 CA--C 1.533 1.182 0 N-CA-C 111.526 -0.63 . . . . 25.34 111.526 176.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -143.62 156.1 44.46 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 117.644 0.722 . . . . 72.44 110.071 177.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 77.8 p -50.17 -30.03 10.52 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 114.633 1.345 . . . . 72.33 114.633 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.39 -20.02 48.67 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 124.122 0.969 . . . . 73.34 112.361 -177.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -102.84 157.6 16.85 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.519 0.728 . . . . 75.21 112.352 -172.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 m -125.36 154.52 41.72 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.175 0.99 . . . . 55.41 110.644 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 t -138.83 162.23 35.29 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 123.848 0.859 . . . . 63.32 110.557 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -116.09 144.14 44.53 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 121.308 0.575 . . . . 73.3 111.455 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -143.21 139.09 30.12 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.108 0.963 . . . . 60.31 110.269 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.7 m -100.12 138.88 36.59 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.162 0.585 . . . . 73.41 110.92 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.42 HG13 HG21 ' A' ' 74' ' ' ILE . 95.8 t -76.18 131.13 35.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 124.392 1.077 . . . . 55.14 110.63 179.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.7 p -107.49 112.19 24.84 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.118 0.967 . . . . 63.02 109.942 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 43.1 mm -90.07 113.27 56.57 Favored Pre-proline 0 N--CA 1.49 1.552 0 C-N-CA 123.422 0.689 . . . . 63.2 111.063 -175.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 39' ' ' ILE . 16.2 Cg_exo -69.76 171.21 14.88 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.52 2.813 . . . . 54.04 114.679 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.72 120.82 10.81 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 124.171 0.988 . . . . 70.21 112.381 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.76 6.58 89.3 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 116.191 -0.459 . . . . 71.04 114.094 177.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -104.29 150.16 24.69 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 117.549 0.675 . . . . 73.44 111.284 176.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -122.36 140.48 52.63 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.497 1.119 . . . . 74.23 109.884 174.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -67.68 122.01 17.16 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.519 0.728 . . . . 65.55 111.578 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.0 t -92.5 -52.97 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 122.932 0.493 . . . . 71.34 109.937 173.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.47 156.01 9.62 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.088 -0.506 . . . . 62.53 113.66 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.443 ' HB ' ' HB ' ' A' ' 53' ' ' VAL . 45.5 m -92.65 131.77 37.46 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.223 0.609 . . . . 72.24 111.306 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.483 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 20.9 t0 -109.91 152.49 25.75 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.602 1.161 . . . . 74.31 109.004 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.72 -73.66 2.61 Favored Glycine 0 N--CA 1.477 1.371 0 N-CA-C 113.739 0.256 . . . . 72.42 113.739 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.91 178.65 48.41 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 116.661 0.23 . . . . 74.34 113.579 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 46.3 t -88.1 112.5 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 122.972 0.509 . . . . 75.34 110.087 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.443 ' HB ' ' HB ' ' A' ' 48' ' ' THR . 7.5 p -95.51 140.84 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 122.784 0.434 . . . . 70.45 111.57 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -80.18 174.12 11.92 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.191 0.597 . . . . 62.32 111.971 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.8 t -61.65 -39.3 90.87 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 113.273 0.842 . . . . 74.54 113.273 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.82 -9.77 58.54 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 122.965 0.506 . . . . 64.23 112.178 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.37 -36.46 3.57 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 115.256 0.862 . . . . 74.03 115.256 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -66.26 -43.08 87.46 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.058 0.762 . . . . 61.32 113.058 -172.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.6 p -94.94 128.36 41.67 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 122.034 -0.416 . . . . 60.11 110.976 -176.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.5 t -126.91 125.46 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.736 0.814 . . . . 51.55 111.075 -175.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.44 ' HB ' ' HB ' ' A' ' 52' ' ' VAL . 48.0 m -82.7 107.02 15.03 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.49 0.716 . . . . 73.0 110.013 171.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.8 mt -103.71 116.83 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.134 0.974 . . . . 73.41 109.808 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 56.3 m -110.3 120.3 41.99 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.97 0.508 . . . . 73.24 109.698 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 29' ' ' THR . 23.9 m-85 -55.26 125.17 19.57 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.289 0.636 . . . . 74.05 109.934 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.25 152.43 46.12 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.872 0.693 . . . . 52.32 112.872 -171.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.03 -30.95 61.21 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 115.504 -0.771 . . . . 74.35 110.282 168.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.48 107.48 14.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.826 0.85 . . . . 71.11 110.702 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 61.18 18.96 9.61 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.98 1.312 . . . . 65.35 113.024 170.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m 60.12 11.89 2.96 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.766 1.226 . . . . 62.22 113.274 -175.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t70 59.49 67.48 0.89 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.455 1.102 . . . . 63.15 110.038 -167.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -70.25 105.55 3.01 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.221 -0.9 . . . . 73.41 111.491 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.9 t -94.97 117.94 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 124.107 0.963 . . . . 73.01 109.672 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.483 ' HB ' ' HB3' ' A' ' 49' ' ' ASP . 61.8 t -114.34 110.19 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.324 0.65 . . . . 74.24 110.07 -176.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.42 HG21 HG13 ' A' ' 37' ' ' VAL . 30.5 mm -85.28 110.66 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.252 -0.647 . . . . 70.11 109.252 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -84.58 128.39 34.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.83 0.452 . . . . 75.14 110.363 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.408 HD11 ' HD2' ' A' ' 9' ' ' TYR . 83.3 mt -131.19 138.76 49.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.672 0.789 . . . . 65.24 110.951 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -110.02 172.56 6.79 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.917 0.887 . . . . 74.41 109.726 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -94.38 128.35 40.85 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.945 -0.472 . . . . 53.34 110.693 172.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.95 -67.82 1.51 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.34 -1.504 . . . . 60.42 109.34 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.401 HD23 ' H ' ' A' ' 82' ' ' HIS . 3.9 tt -72.8 117.26 14.29 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 108.055 -1.091 . . . . 74.24 108.055 163.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.36 -32.55 74.21 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 123.463 0.705 . . . . 54.45 112.874 -174.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.401 ' H ' HD23 ' A' ' 80' ' ' LEU . 53.2 t60 65.15 104.7 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.079 1.352 . . . . 72.44 111.758 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -70.45 97.7 1.32 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.146 0.578 . . . . 73.34 111.145 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -71.36 142.19 50.37 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.89 0.876 . . . . 71.42 110.221 175.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -70.86 107.37 3.98 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.556 0.342 . . . . 61.12 110.422 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 53.69 172.58 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 126.971 2.108 . . . . 74.44 115.152 -175.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 . . . . . 0 N--CA 1.483 1.181 0 C-N-CA 124.272 1.029 . . . . 71.31 110.031 -179.916 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptp . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.51 0.195 . . . . 71.23 111.116 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -77.96 127.37 32.24 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 122.748 0.419 . . . . 72.54 110.319 169.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -91.73 145.53 24.5 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.249 0.62 . . . . 52.35 110.678 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -114.16 169.08 9.28 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.559 0.744 . . . . 74.33 112.163 -176.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.81 124.97 8.69 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.465 1.106 . . . . 50.14 109.458 169.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.0 p -104.79 129.47 53.06 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.313 0.645 . . . . 73.34 112.097 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.527 HG13 ' HB ' ' A' ' 72' ' ' VAL . 3.9 mp -109.22 104.73 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.574 0.75 . . . . 64.55 109.332 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.5 m -103.48 121.0 41.93 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.457 0.703 . . . . 75.4 110.484 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -84.23 134.75 34.53 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.005 0.522 . . . . 72.21 109.88 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.25 160.11 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 124.289 1.036 . . . . 72.43 110.313 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.88 125.26 43.69 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 121.44 0.638 . . . . 71.12 111.013 173.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -66.73 -25.69 66.64 Favored 'General case' 0 CA--C 1.56 1.335 0 C-N-CA 124.872 1.269 . . . . 62.23 113.993 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -74.66 -7.06 52.06 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 112.558 0.577 . . . . 74.22 112.558 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.518 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 6.0 mmpt? -124.98 29.53 6.12 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.934 0.894 . . . . 54.25 110.331 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.59 28.67 70.65 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-N 115.865 -0.607 . . . . 72.33 113.864 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.88 43.02 15.22 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 123.434 0.137 . . . . 62.14 112.861 -172.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.57 132.3 37.1 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.599 0.36 . . . . 51.14 110.559 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -68.89 131.98 45.98 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.371 0.668 . . . . 74.52 112.484 -171.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -99.67 104.87 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 N-CA-C 107.903 -1.147 . . . . 72.31 107.903 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.43 -137.85 23.31 Favored Glycine 0 CA--C 1.541 1.685 0 CA-C-O 120.258 -0.19 . . . . 72.42 112.886 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -114.58 -179.23 3.57 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.491 0.716 . . . . 54.52 111.542 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.436 HD12 ' H ' ' A' ' 22' ' ' ILE . 3.6 mp -86.74 140.85 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.435 0.694 . . . . 75.23 109.204 173.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.5 t -108.12 100.72 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 122.901 0.48 . . . . 54.51 110.244 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.1 m -89.47 118.95 29.5 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 122.061 -0.399 . . . . 74.11 110.409 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -105.21 144.88 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 123.467 0.707 . . . . 70.21 109.315 171.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -132.87 156.65 46.81 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 113.011 0.745 . . . . 44.14 113.011 -167.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 157.12 -116.56 0.72 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 115.623 -0.717 . . . . 31.24 112.231 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -165.39 153.41 11.28 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.274 1.03 . . . . 75.43 109.112 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -54.85 -21.34 11.07 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 114.961 1.467 . . . . 72.13 114.961 -170.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.87 -26.68 67.75 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.589 1.156 . . . . 62.44 112.126 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -102.06 138.44 39.01 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.878 0.871 . . . . 71.41 110.627 176.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -121.37 142.09 50.33 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.462 0.705 . . . . 73.42 110.951 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -145.17 149.46 35.01 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.51 0.724 . . . . 61.41 110.862 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.2 p -102.6 112.69 25.55 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 109.691 -0.485 . . . . 55.44 109.691 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -82.05 132.63 35.25 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.422 0.689 . . . . 71.14 109.762 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 t -76.42 114.21 14.87 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-O 121.436 0.636 . . . . 64.14 111.474 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.6 t -78.87 121.51 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.194 0.597 . . . . 61.21 110.368 175.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.1 p -97.37 114.12 25.88 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.103 0.561 . . . . 70.42 110.521 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.0 mm -90.48 112.03 50.69 Favored Pre-proline 0 CA--C 1.56 1.34 0 C-N-CA 123.658 0.783 . . . . 73.24 110.197 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.24 157.51 50.01 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.627 2.218 . . . . 63.23 112.77 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -67.39 126.41 29.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.224 0.61 . . . . 62.13 111.015 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.58 -12.37 61.33 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 115.956 -0.565 . . . . 74.1 113.242 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -108.99 141.35 41.22 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.438 0.695 . . . . 73.32 110.886 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -122.46 136.38 54.88 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.788 1.235 . . . . 74.1 110.076 -175.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -66.59 113.53 4.84 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 122.765 0.426 . . . . 75.22 111.572 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.2 t -87.97 -60.6 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.449 0.699 . . . . 73.44 110.597 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.72 -176.88 42.51 Favored Glycine 0 C--N 1.342 0.875 0 CA-C-N 115.105 -0.952 . . . . 74.31 112.558 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.5 m -150.42 139.7 21.29 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.143 0.577 . . . . 74.51 110.982 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -116.84 150.27 38.66 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.713 0.805 . . . . 72.11 110.504 174.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.66 -150.14 22.23 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-O 119.293 -0.726 . . . . 74.45 112.831 -172.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -28.7 155.34 0.0 OUTLIER Glycine 0 N--CA 1.493 2.469 0 N-CA-C 118.088 1.995 . . . . 65.33 118.088 171.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.7 t -77.23 120.96 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.757 0.823 . . . . 75.21 111.594 -161.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.1 p -97.55 155.62 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 CA-C-O 121.16 0.505 . . . . 73.44 112.053 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -71.44 164.83 25.04 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.242 1.017 . . . . 75.11 112.67 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.7 p -61.49 -32.36 72.37 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.365 1.066 . . . . 60.34 111.944 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -96.37 -14.34 22.57 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.903 0.881 . . . . 63.44 111.398 177.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.71 35.77 62.17 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-N 116.236 -0.438 . . . . 73.45 112.574 -169.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.3 -27.6 22.78 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.933 0.493 . . . . 63.42 111.828 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.5 p -142.75 158.53 43.55 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.071 0.948 . . . . 43.41 111.336 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.576 HG11 HG11 ' A' ' 72' ' ' VAL . 11.1 m -129.02 125.25 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.412 1.085 . . . . 75.13 110.212 170.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.9 m -82.52 128.94 34.77 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.878 0.871 . . . . 73.55 109.66 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 49.7 mm -124.01 136.12 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.058 0 C-N-CA 124.371 1.068 . . . . 63.41 111.438 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 p -125.07 114.65 19.35 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.479 -1.304 . . . . 55.13 107.479 164.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -67.62 113.07 5.12 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.813 0.845 . . . . 75.04 110.355 -168.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.52 146.53 32.44 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.279 0.844 . . . . 51.43 113.279 -169.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.93 1.73 16.8 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 114.848 -1.069 . . . . 51.55 111.732 168.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.96 -29.72 62.14 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.773 1.229 . . . . 61.33 111.097 171.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 70.7 9.34 6.83 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.342 1.608 . . . . 63.03 115.342 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.2 m -65.43 -65.78 0.63 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 118.798 0.727 . . . . 62.11 111.0 172.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -34.12 -7.65 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 118.296 2.702 . . . . 73.31 118.296 164.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -69.78 99.86 1.42 Allowed 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 119.677 1.126 . . . . 42.13 108.919 163.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.576 HG11 HG11 ' A' ' 60' ' ' VAL . 52.3 t -84.93 143.84 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.15 0.98 . . . . 73.23 111.628 -174.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.3 t -127.11 118.84 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 123.289 0.636 . . . . 72.52 109.584 167.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.1 mm -90.24 119.62 37.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.078 0.951 . . . . 75.14 109.852 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -92.44 131.91 37.21 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.714 0.806 . . . . 75.32 110.309 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.14 145.19 51.87 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.86 0.864 . . . . 73.44 110.801 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -124.56 150.91 45.39 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.75 -0.594 . . . . 73.43 110.822 173.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -74.92 137.8 41.94 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 122.705 0.402 . . . . 63.53 110.886 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.27 42.53 1.92 Allowed Glycine 0 N--CA 1.473 1.163 0 N-CA-C 111.317 -0.713 . . . . 73.41 111.317 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.5 mt -99.75 88.01 3.7 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.848 0.859 . . . . 73.24 109.687 -173.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -75.89 105.04 6.71 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.904 -0.589 . . . . 71.53 110.785 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -117.83 136.7 53.25 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.555 0.742 . . . . 62.21 111.115 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -65.81 150.4 48.61 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.869 0.468 . . . . 72.42 111.076 173.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -91.11 39.92 1.01 Allowed 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.666 0.746 . . . . 73.21 111.577 -173.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -72.58 -11.88 60.83 Favored 'General case' 0 CA--C 1.565 1.557 0 C-N-CA 124.076 0.95 . . . . 73.13 111.018 175.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -124.07 152.1 43.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.795 1.238 . . . . 73.41 110.08 167.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.6 t60 . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 123.546 0.738 . . . . 74.03 111.008 178.563 . . . . . . . . 0 0 . 1 stop_ save_